[(R)-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]({[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl][(trimethylsilyl)oxy]methyl](phenyl)phosphoryl})methoxy]trimethylsilane

• ChemBase编号: 280819
• 分子式: C24H43O7PSi2
• 平均质量: 530.738781
• 单一同位素质量: 530.22849341
• SMILES: P(=O)([C@H]([C@@H]1OC(OC1)(C)C)O[Si](C)(C)C)([C@H]([C@@H]1OC(CO1)(C)C)O[Si](C)(C)C)c1ccccc1
• Canonical SMILES: C[Si](O[C@H](P(=O)([C@H]([C@H]1COC(O1)(C)C)O[Si](C)(C)C)c1ccccc1)[C@H]1OCC(O1)(C)C)(C)C
• InChI: InChI=1S/C24H43O7PSi2/c1-23(2)17-26-20(29-23)22(31-34(8,9)10)32(25,18-14-12-11-13-15-18)21(30-33(5,6)7)19-16-27-24(3,4)28-19/h11-15,19-22H,16-17H2,1-10H3/t19-,20+,21-,22-,32?/m1/s1
• InChIKey: YWLMONLNWMCIIO-KVEPBCMDSA-N

名称和登记号

名称

• IUPAC标准名: [(R)-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]({[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl][(trimethylsilyl)oxy]methyl](phenyl)phosphoryl})methoxy]trimethylsilane
• IUPAC传统名: [(R)-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl][(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl][(trimethylsilyl)oxy]methyl(phenyl)phosphoryl]methoxy]trimethylsilane
• 别名: (4R,6R)-4-[(2S)-4,4-dimethyl-1,3-dioxolan-2-yl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,8,8-tetramethyl-5-phenyl-3,7-dioxa-5-phospha-2,8-disilanonane 5-oxide

登记号

• MDL号: MFCD09863830
• PubChem SID: 180666350
• PubChem CID: 43810866

理论计算性质

• Acid pKa: 18.788403
• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 5.7744
• LogD (pH = 7.4): 5.7744
• Log P: 5.7744
• 摩尔折射率: 126.3834 cm^3
• 极化性: 55.35089 Å^3
• 极化表面积: 72.45 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 疏水性(logP): 4.143

产品相关信息

• 纯度: 95%