(2R,5R)-5-{[(2R,5S)-5-{[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-6-methyloxane-2,3,4-triol

• ChemBase ID: 192143
• Molecular Formular: C23H40O19
• Molecular Mass: 620.5523
• Monoisotopic Mass: 620.21637906
• SMILES: [C@H]1(C(C([C@H](C(O1)CO)O)O)O)O[C@H]1C(C([C@@H](OC1CO)O[C@@H]1C(C([C@@H](O[C@@H]2C(C([C@@H](OC2C)O)O)O)OC1)O)O)O)O
• Canonical SMILES: OCC1O[C@@H](O[C@H]2CO[C@@H](C(C2O)O)O[C@H]2C(C)O[C@H](C(C2O)O)O)C(C([C@@H]1O[C@H]1OC(CO)[C@@H](C(C1O)O)O)O)O
• InChI: InChI=1S/C23H40O19/c1-5-18(12(29)14(31)20(35)37-5)41-21-15(32)10(27)8(4-36-21)40-22-17(34)13(30)19(7(3-25)39-22)42-23-16(33)11(28)9(26)6(2-24)38-23/h5-35H,2-4H2,1H3/t5?,6?,7?,8-,9-,10?,11?,12?,13?,14?,15?,16?,17?,18-,19+,20+,21+,22-,23+/m0/s1
• InChIKey: KBXFQTAJZJJGBL-CSLNZZIHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,5R)-5-{[(2R,5S)-5-{[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-6-methyloxane-2,3,4-triol
• IUPAC Traditional name: (2R,5R)-5-{[(2R,5S)-5-{[(2R,5S)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-6-methyloxane-2,3,4-triol

Database IDs

• PubChem SID: 164248053
• PubChem CID: 25075949

CALCULATED PROPERTIES

• Acid pKa: 11.193929
• H Acceptors: 19
• H Donor: 12
• LogD (pH = 5.5): -6.567802
• LogD (pH = 7.4): -6.567871
• Log P: -6.5678015
• Molar Refractivity: 125.6571 cm^3
• Polarizability: 53.3647 Å^3
• Polar Surface Area: 307.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Description: POLYMER...)n (.... n = 37-38
• Classification: Rare Genuine Natural Compounds