(3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one

• ChemBase编号: 797491
• 分子式: C18H42O6Si4
• 平均质量: 466.86448
• 单一同位素质量: 466.20584519
• SMILES: O1C(=O)[C@@H]([C@H]([C@@H]([C@H]1CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
• Canonical SMILES: O=C1O[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
• InChI: InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
• InChIKey: VNGTZLYNGGLPIZ-WCXIOVBPSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one
• IUPAC传统名: (3R,4S,5R,6R)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one
• 别名: (3R,4S,5R,6R)-3,4,5-tris(triMethylsilyloxy)-6-((triMethylsilyloxy)Methyl)tetrahydro-2H-pyran-2-one

登记号

• CAS号: 32384-65-9

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.5491
• LogD (pH = 7.4): 5.5491
• Log P: 5.5491
• 摩尔折射率: 99.2824 cm^3
• 极化性: 48.49529 Å^3
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

产品相关信息

• 纯度: 98%