trimethyl({[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane

• ChemBase编号: 176326
• 分子式: C21H52O6Si5
• 平均质量: 541.06148
• 单一同位素质量: 540.26102204
• SMILES: [C@H]1([C@@H]([C@@H]([C@H](O[C@H]1CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](O[C@H]1O[C@@H](CO[Si](C)(C)C)[C@@H]([C@@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)(C)C
• InChI: InChI=1S/C21H52O6Si5/c1-28(2,3)22-16-17-18(24-29(4,5)6)19(25-30(7,8)9)20(26-31(10,11)12)21(23-17)27-32(13,14)15/h17-21H,16H2,1-15H3/t17-,18+,19+,20-,21-/m1/s1
• InChIKey: PPFHNIVPOLWPCF-XDWAVFMPSA-N

名称和登记号

名称

• IUPAC标准名: trimethyl({[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane
• IUPAC传统名: trimethyl({[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[(trimethylsilyl)oxy]oxan-2-yl]methoxy})silane
• 别名: 1,2,3,4,6-Pentakis-O-(trimethylsilyl)-α-D-galactopyranose; 1,2,3,4,6-Pentakis-O-(trimethylsilyl) α-D-Galactose

登记号

• CAS号: 32166-80-6
• PubChem SID: 164232236
• PubChem CID: 6427851

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 7.4162
• LogD (pH = 7.4): 7.4162
• Log P: 7.4162
• 摩尔折射率: 116.5529 cm^3
• 极化性: 57.548737 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: Colorless Oil

安全信息

• 保存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - P274125

1,2,3,4,6-Pentakis-O-(trimethylsilyl) α-D-Galactose is used in the synthesis of truncated analogues of the iNKT cell agonist, α-galactosyl ceramide (KRN7000).

参考文献

• Hong, S., et al.: Immunol. Rev., 169, 31 (1999)
• Crowe, N., et al.: J. Immunol., 171, 4020 (1999)
• Forestier, C., et al.: J. Immunol., 178, 1415 (1999)