(2S,3S,4R)-2-azido-3,4-bis[(tert-butyldimethylsilyl)oxy]octadecan-1-ol

• ChemBase编号: 160981
• 分子式: C30H65N3O3Si2
• 平均质量: 572.0264
• 单一同位素质量: 571.45644602
• SMILES: OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)N=[N+]=[N-]
• Canonical SMILES: CCCCCCCCCCCCCC[C@H]([C@H]([C@@H](N=[N+]=[N-])CO)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C30H65N3O3Si2/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-27(35-37(8,9)29(2,3)4)28(26(25-34)32-33-31)36-38(10,11)30(5,6)7/h26-28,34H,12-25H2,1-11H3/t26-,27+,28-/m0/s1
• InChIKey: XIAFYLGSFHUSBQ-IARZGTGTSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3S,4R)-2-azido-3,4-bis[(tert-butyldimethylsilyl)oxy]octadecan-1-ol
• IUPAC传统名: (2S,3S,4R)-2-azido-3,4-bis[(tert-butyldimethylsilyl)oxy]octadecan-1-ol
• 别名: (2S,3S,4R)-2-Azido-3,4-bis(tert-butyldimethylsilyl)-1,3,4-octadecanetriol; (2S,3S,4R)-2-Azido-3,4-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-octadecanol; (2S,3S,4R)-2-Azido-3,4-bis[(tert-butyldimethylsilyl)oxy]-1-octadecanol

登记号

• CAS号: 1256376-21-2
• PubChem SID: 162255116
• PubChem CID: 46780515

理论计算性质

• Acid pKa: 14.804113
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 9.4328
• LogD (pH = 7.4): 9.4328
• Log P: 9.4929
• 摩尔折射率: 156.6221 cm^3
• 极化性: 66.10614 Å^3
• 极化表面积: 68.12 Å^2
• 可自由旋转的化学键: 23
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Dichloromethane; Ethyl Acetate; Methanol
• 外观: Colorless Oil