(4S,5S)-6-{[(tert-butyldimethylsilyl)oxy]methyl}oxane-2,3,4,5-tetrol

• ChemBase编号: 163347
• 分子式: C12H26O6Si
• 平均质量: 294.41674
• 单一同位素质量: 294.14986508
• SMILES: [C@@H]1([C@@H](C(C(OC1CO[Si](C(C)(C)C)(C)C)O)O)O)O
• Canonical SMILES: OC1OC(CO[Si](C(C)(C)C)(C)C)[C@H]([C@@H](C1O)O)O
• InChI: InChI=1S/C12H26O6Si/c1-12(2,3)19(4,5)17-6-7-8(13)9(14)10(15)11(16)18-7/h7-11,13-16H,6H2,1-5H3/t7?,8-,9+,10?,11?/m1/s1
• InChIKey: AIJBYEYYSZEZMQ-SQQPQDOJSA-N

名称和登记号

名称

• IUPAC标准名: (4S,5S)-6-{[(tert-butyldimethylsilyl)oxy]methyl}oxane-2,3,4,5-tetrol
• IUPAC传统名: (4S,5S)-6-{[(tert-butyldimethylsilyl)oxy]methyl}oxane-2,3,4,5-tetrol
• 别名: 6-O-(tert-Butyldimethylsilyl)-D-Glucopyranose; 6-O-(tert-Butyldimethylsilyl)-Glucopyranose; 6-O-(tert-Butyldimethylsilyl)-D-glucose

登记号

• PubChem SID: 162257482
• PubChem CID: 71314406

理论计算性质

• Acid pKa: 11.298363
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): -0.3968007
• LogD (pH = 7.4): -0.39685482
• Log P: -0.3968
• 摩尔折射率: 65.7715 cm^3
• 极化性: 29.02798 Å^3
• 极化表面积: 99.38 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dimethyl Sulfoxide; Methanol
• 外观: White Solid

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - B691305

D-Glucose derivative. Used in enzymic synthesis of cyclohexyl-α and β-D-glucosides.

参考文献

• Wang, R., et al.: J. Mol. Catal. B. Enz., 56, 131 (2009)