({3,4-bis[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}-5-({3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl}oxy)oxolan-2-yl}methoxy)trimethylsilane

• ChemBase编号: 130910
• 分子式: C36H86O11Si8
• 平均质量: 919.74544
• 单一同位素质量: 918.43242583
• SMILES: C[Si](C)(C)OCC1C(C(C(C(O1)OC1(C(C(C(O1)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: C[Si](OCC1(OC2OC(CO[Si](C)(C)C)C(C(C2O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC(C(C1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)(C)C
• InChI: InChI=1S/C36H86O11Si8/c1-48(2,3)37-25-28-30(43-51(10,11)12)32(45-53(16,17)18)33(46-54(19,20)21)35(40-28)42-36(27-39-50(7,8)9)34(47-55(22,23)24)31(44-52(13,14)15)29(41-36)26-38-49(4,5)6/h28-35H,25-27H2,1-24H3
• InChIKey: JDAONBLATRVCRV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ({3,4-bis[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}-5-({3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl}oxy)oxolan-2-yl}methoxy)trimethylsilane
• IUPAC传统名: ({3,4-bis[(trimethylsilyl)oxy]-5-{[(trimethylsilyl)oxy]methyl}-5-({3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-yl}oxy)oxolan-2-yl}methoxy)trimethylsilane
• 别名: Trimethylsilylsucrose

登记号

• CAS号: 19159-25-2
• MDL号: MFCD00059796
• PubChem SID: 162225188
• PubChem CID: 632328

理论计算性质

• 质子受体: 11
• 质子供体: 0
• LogD (pH = 5.5): 12.2129
• LogD (pH = 7.4): 12.2129
• Log P: 12.2129
• 摩尔折射率: 197.7813 cm^3
• 极化性: 96.77158 Å^3
• 极化表面积: 101.53 Å^2
• 可自由旋转的化学键: 21
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C