tert-butyl({[(1R,3R)-3-[(tert-butyldimethylsilyl)oxy]-5-[2-(diphenylphosphoroso)ethylidene]cyclohexyl]oxy})dimethylsilane

• ChemBase编号: 162273
• 分子式: C32H51O3PSi2
• 平均质量: 570.890301
• 单一同位素质量: 570.31143519
• SMILES: C1[C@H](C[C@@H](C/C/1=C\CP(=O)(c1ccccc1)c1ccccc1)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• Canonical SMILES: CC([Si](O[C@H]1C[C@@H](C/C(=C\CP(=O)(c2ccccc2)c2ccccc2)/C1)O[Si](C(C)(C)C)(C)C)(C)C)(C)C
• InChI: InChI=1S/C32H51O3PSi2/c1-31(2,3)37(7,8)34-27-23-26(24-28(25-27)35-38(9,10)32(4,5)6)21-22-36(33,29-17-13-11-14-18-29)30-19-15-12-16-20-30/h11-21,27-28H,22-25H2,1-10H3/t27-,28-/m1/s1
• InChIKey: LOVRVVSIBIVFTN-VSGBNLITSA-N

名称和登记号

名称

• IUPAC标准名: tert-butyl({[(1R,3R)-3-[(tert-butyldimethylsilyl)oxy]-5-[2-(diphenylphosphoroso)ethylidene]cyclohexyl]oxy})dimethylsilane
• IUPAC传统名: tert-butyl({[(1R,3R)-3-[(tert-butyldimethylsilyl)oxy]-5-[2-(diphenylphosphoroso)ethylidene]cyclohexyl]oxy})dimethylsilane
• 别名: [2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethyl]diphenyl-phosphine Oxide; (3R-trans)-[2-[3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethyl]diphenyl-phosphine Oxide

登记号

• CAS号: 139356-39-1
• PubChem SID: 162256408
• PubChem CID: 11146215

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.03
• LogD (pH = 7.4): 8.03
• Log P: 8.03
• 摩尔折射率: 157.4544 cm^3
• 极化性: 66.46966 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - B429810

Used in the preparation of Vitamin D compounds.