(2R,3R,4R,5S,6R)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-6-methoxyoxane-3,4,5-triol

• ChemBase编号: 82178
• 分子式: C23H32O6Si
• 平均质量: 432.58208
• 单一同位素质量: 432.19681528
• SMILES: O1[C@H]([C@H]([C@@H]([C@H]([C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O)O)O)OC
• Canonical SMILES: CO[C@@H]1O[C@H](CO[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
• InChI: InChI=1S/C23H32O6Si/c1-23(2,3)30(16-11-7-5-8-12-16,17-13-9-6-10-14-17)28-15-18-19(24)20(25)21(26)22(27-4)29-18/h5-14,18-22,24-26H,15H2,1-4H3/t18-,19+,20-,21+,22-/m1/s1
• InChIKey: GZIVUJBHWFXBMB-OQEHDIDLSA-N

名称和登记号

名称

• IUPAC标准名: (2R,3R,4R,5S,6R)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-6-methoxyoxane-3,4,5-triol
• IUPAC传统名: (2R,3R,4R,5S,6R)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-6-methoxyoxane-3,4,5-triol
• 别名: 2-({[tert-butyl(diphenyl)silyl]oxy}methyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol

登记号

• MDL号: MFCD01570239
• PubChem SID: 162069297
• PubChem CID: 71299462

理论计算性质

• Acid pKa: 12.21343
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): 3.3337
• LogD (pH = 7.4): 3.3336933
• Log P: 3.3337
• 摩尔折射率: 109.9111 cm^3
• 极化性: 46.32727 Å^3
• 极化表面积: 88.38 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true