(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4R,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

• ChemBase ID: 108589
• Molecular Formular: C228H382O191
• Molecular Mass: 6179.35808
• Monoisotopic Mass: 6176.01785464
• SMILES: OCC1OC(OC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(COC%19(COC%20(COC%21(COC%22(COC%23(COC%24(COC%25(COC%26(COC%27(COC%28(COC%29(COC%30(COC%31(COC%32(COC%33(COC%34(COC%35(COC%36(COC%37(COC%38(CO)OC(CO)C(O)C%38O)OC(CO)C(O)C%37O)OC(CO)C(O)C%36O)OC(CO)C(O)C%35O)OC(CO)C(O)C%34O)OC(CO)C(O)C%33O)OC(CO)C(O)C%32O)OC(CO)C(O)C%31O)OC(CO)C(O)C%30O)OC(CO)C(O)C%29O)OC(CO)C(O)C%28O)OC(CO)C(O)C%27O)OC(CO)C(O)C%26O)OC(CO)C(O)C%25O)OC(CO)C(O)C%24O)OC(CO)C(O)C%23O)OC(CO)C(O)C%22O)OC(CO)C(O)C%21O)OC(CO)C(O)C%20O)OC(CO)C(O)C%19O)OC(CO)C(O)C%18O)OC(CO)C(O)C%17O)OC(CO)C(O)C%16O)OC(CO)C(O)C%15O)OC(CO)C(O)C%14O)OC(CO)C(O)C%13O)OC(CO)C(O)C%12O)OC(CO)C(O)C%11O)OC(CO)C(O)C%10O)OC(CO)C(O)C9O)OC(CO)C(O)C8O)OC(CO)C(O)C7O)OC(CO)C(O)C6O)OC(CO)C(O)C5O)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
• Canonical SMILES: OCC1OC(C(C1O)O)(OCC1(OCC2(OCC3(OCC4(OCC5(OCC6(OCC7(OCC8(OCC9(OCC%10(OCC%11(OCC%12(OCC%13(OCC%14(OCC%15(OCC%16(OCC%17(OCC%18(OC%19OC(CO)C(C(C%19O)O)O)OC(C(C%18O)O)CO)OC(C(C%17O)O)CO)OC(C(C%16O)O)CO)OC(C(C%15O)O)CO)OC(C(C%14O)O)CO)OC(C(C%13O)O)CO)OC(C(C%12O)O)CO)OC(C(C%11O)O)CO)OC(C(C%10O)O)CO)OC(C(C9O)O)CO)OC(C(C8O)O)CO)OC(C(C7O)O)CO)OC(C(C6O)O)CO)OC(C(C5O)O)CO)OC(C(C4O)O)CO)OC(C(C3O)O)CO)OC(C(C2O)O)CO)OC(C(C1O)O)CO)COC1(COC2(COC3(COC4(COC5(COC6(COC7(COC8(COC9(COC%10(COC%11(COC%12(COC%13(COC%14(COC%15(COC%16(COC%17(COC%18(CO)OC(C(C%18O)O)CO)OC(C(C%17O)O)CO)OC(C(C%16O)O)CO)OC(C(C%15O)O)CO)OC(C(C%14O)O)CO)OC(C(C%13O)O)CO)OC(C(C%12O)O)CO)OC(C(C%11O)O)CO)OC(C(C%10O)O)CO)OC(C(C9O)O)CO)OC(C(C8O)O)CO)OC(C(C7O)O)CO)OC(C(C6O)O)CO)OC(C(C5O)O)CO)OC(C(C4O)O)CO)OC(C(C3O)O)CO)OC(C(C2O)O)CO)OC(C(C1O)O)CO
• InChI: InChI=1S/C228H382O191/c229-1-76-114(268)152(306)153(307)191(381-76)419-228(190(344)151(305)113(38-266)418-228)75-380-227(189(343)150(304)112(37-265)417-227)74-379-226(188(342)149(303)111(36-264)416-226)73-378-225(187(341)148(302)110(35-263)415-225)72-377-224(186(340)147(301)109(34-262)414-224)71-376-223(185(339)146(300)108(33-261)413-223)70-375-222(184(338)145(299)107(32-260)412-222)69-374-221(183(337)144(298)106(31-259)411-221)68-373-220(182(336)143(297)105(30-258)410-220)67-372-219(181(335)142(296)104(29-257)409-219)66-371-218(180(334)141(295)103(28-256)408-218)65-370-217(179(333)140(294)102(27-255)407-217)64-369-216(178(332)139(293)101(26-254)406-216)63-368-215(177(331)138(292)100(25-253)405-215)62-367-214(176(330)137(291)99(24-252)404-214)61-366-213(175(329)136(290)98(23-251)403-213)60-365-212(174(328)135(289)97(22-250)402-212)59-364-211(173(327)134(288)96(21-249)401-211)58-363-210(172(326)133(287)95(20-248)400-210)57-362-209(171(325)132(286)94(19-247)399-209)56-361-208(170(324)131(285)93(18-246)398-208)55-360-207(169(323)130(284)92(17-245)397-207)54-359-206(168(322)129(283)91(16-244)396-206)53-358-205(167(321)128(282)90(15-243)395-205)52-357-204(166(320)127(281)89(14-242)394-204)51-356-203(165(319)126(280)88(13-241)393-203)50-355-202(164(318)125(279)87(12-240)392-202)49-354-201(163(317)124(278)86(11-239)391-201)48-353-200(162(316)123(277)85(10-238)390-200)47-352-199(161(315)122(276)84(9-237)389-199)46-351-198(160(314)121(275)83(8-236)388-198)45-350-197(159(313)120(274)82(7-235)387-197)44-349-196(158(312)119(273)81(6-234)386-196)43-348-195(157(311)118(272)80(5-233)385-195)42-347-194(156(310)117(271)79(4-232)384-194)41-346-193(155(309)116(270)78(3-231)383-193)40-345-192(39-267)154(308)115(269)77(2-230)382-192/h76-191,229-344H,1-75H2
• InChIKey: JYJIGFIDKWBXDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4R,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• IUPAC Traditional name: (2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4R,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-2-({[(2S,3R,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
• Synonyms: INULIN

Database IDs

• PubChem SID: 162106175
• PubChem CID: 18772499

CALCULATED PROPERTIES

• Acid pKa: 11.268317
• H Acceptors: 191
• H Donor: 116
• LogD (pH = 5.5): -61.995483
• LogD (pH = 7.4): -61.99554
• Log P: -61.995483
• Molar Refractivity: 1251.3993 cm^3
• Polarizability: 526.28955 Å^3
• Polar Surface Area: 3038.93 Å^2
• Rotatable Bonds: 149
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05207976

MP Biomedicals Rare Chemical collection