• ChemBase ID: 141054
• Molecular Formular: C315H512O189
• Molecular Mass: 7323.32238
• Monoisotopic Mass: 7319.04527956
• SMILES: CC(CO)(CO)C(=O)OCC(C)(COC(=O)C(C)(CO)CO)C(=O)OCC(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)OCC(C)(COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)OCCOCCOCC(COCCOC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)(COCCOC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COCCOC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO
• Canonical SMILES: OCC(C(=O)OCC(C(=O)OCC(C(=O)OCC(C(=O)OCCOCCOCC(COCCOC(=O)C(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)C)(COCCOC(=O)C(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)C)COCCOC(=O)C(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)C)(COC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(CO)(CO)C)C)(CO)C
• InChI: InChI=1S/C315H512O189/c1-255(71-316,72-317)195(380)449-143-291(37,144-450-196(381)256(2,73-318)74-319)231(416)489-175-307(53,176-490-232(417)292(38,145-451-197(382)257(3,75-320)76-321)146-452-198(383)258(4,77-322)78-323)247(432)481-135-287(33,136-482-248(433)308(54,177-491-233(418)293(39,147-453-199(384)259(5,79-324)80-325)148-454-200(385)260(6,81-326)82-327)178-492-234(419)294(40,149-455-201(386)261(7,83-328)84-329)150-456-202(387)262(8,85-330)86-331)227(412)445-67-63-440-61-62-441-191-315(192-442-64-68-446-228(413)288(34,137-483-249(434)309(55,179-493-235(420)295(41,151-457-203(388)263(9,87-332)88-333)152-458-204(389)264(10,89-334)90-335)180-494-236(421)296(42,153-459-205(390)265(11,91-336)92-337)154-460-206(391)266(12,93-338)94-339)138-484-250(435)310(56,181-495-237(422)297(43,155-461-207(392)267(13,95-340)96-341)156-462-208(393)268(14,97-342)98-343)182-496-238(423)298(44,157-463-209(394)269(15,99-344)100-345)158-464-210(395)270(16,101-346)102-347,193-443-65-69-447-229(414)289(35,139-485-251(436)311(57,183-497-239(424)299(45,159-465-211(396)271(17,103-348)104-349)160-466-212(397)272(18,105-350)106-351)184-498-240(425)300(46,161-467-213(398)273(19,107-352)108-353)162-468-214(399)274(20,109-354)110-355)140-486-252(437)312(58,185-499-241(426)301(47,163-469-215(400)275(21,111-356)112-357)164-470-216(401)276(22,113-358)114-359)186-500-242(427)302(48,165-471-217(402)277(23,115-360)116-361)166-472-218(403)278(24,117-362)118-363)194-444-66-70-448-230(415)290(36,141-487-253(438)313(59,187-501-243(428)303(49,167-473-219(404)279(25,119-364)120-365)168-474-220(405)280(26,121-366)122-367)188-502-244(429)304(50,169-475-221(406)281(27,123-368)124-369)170-476-222(407)282(28,125-370)126-371)142-488-254(439)314(60,189-503-245(430)305(51,171-477-223(408)283(29,127-372)128-373)172-478-224(409)284(30,129-374)130-375)190-504-246(431)306(52,173-479-225(410)285(31,131-376)132-377)174-480-226(411)286(32,133-378)134-379/h316-379H,61-194H2,1-60H3
• InChIKey: GQHXGYXVJHXWBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: ALH-64-OH; Hyperpolymer; PFH-64-OH; Hyperbranched Polymer; Hyperbranched bis-MPA polyester-64-hydroxyl, generation 4; 超支化聚合物; 超支化 bis-MPA 聚酯-64-羟基，4 代

Database IDs

• CAS Number: 326794-48-3

CALCULATED PROPERTIES

• Acid pKa: 13.910654
• H Acceptors: 129
• H Donor: 64
• LogD (pH = 5.5): -22.226292
• LogD (pH = 7.4): -22.226294
• Log P: -22.226292
• Molar Refractivity: 1671.1432 cm^3
• Polarizability: 675.87103 Å^3
• Polar Surface Area: 2918.87 Å^2
• Rotatable Bonds: 319
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder (lyophilized)
• Flash Point: >100 °C; >212 °F

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97%
• Description: hydroxyl surface groups
• Mol. Weight: generation 4
• No. of surface groups: 64 (avg.)
• Empirical Formula (Hill Notation): C315H512O189

DETAILS

Sigma Aldrich - 686573

General description
Soluble in polar solvents such as DMSO, and methanol. Emulsifies in water (colloidal system).
calculated mol. wt. 7,323
Other Notes
Bis-MPA =2,2-Bis(hydroxyl-methyl)propionic acid
Packaging
10 g in glass bottle