(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编号: 192143
• 分子式: C23H40O19
• 平均质量: 620.5523
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: (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传统名: (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

登记号

• PubChem SID: 164248053
• PubChem CID: 25075949

理论计算性质

• Acid pKa: 11.193929
• 质子受体: 19
• 质子供体: 12
• LogD (pH = 5.5): -6.567802
• LogD (pH = 7.4): -6.567871
• Log P: -6.5678015
• 摩尔折射率: 125.6571 cm^3
• 极化性: 53.3647 Å^3
• 极化表面积: 307.37 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

产品相关信息

• 简要说明: POLYMER...)n (.... n = 37-38
• 分类: Rare Genuine Natural Compounds