(2S,3R,4R)-4-azido-6-[(tert-butyldimethylsilyl)oxy]-2-methyloxan-3-ol

• ChemBase编号: 810650
• 分子式: C12H25N3O3Si
• 平均质量: 287.4307
• 单一同位素质量: 287.16651821
• SMILES: C[C@@H]1OC(O[Si](C)(C)C(C)(C)C)C[C@H]([C@H]1O)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=N[C@@H]1CC(O[C@H]([C@@H]1O)C)O[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C12H25N3O3Si/c1-8-11(16)9(14-15-13)7-10(17-8)18-19(5,6)12(2,3)4/h8-11,16H,7H2,1-6H3/t8-,9+,10?,11-/m0/s1
• InChIKey: PZPUIKSYESHJIF-IXMYILBSSA-N

名称和登记号

名称

• IUPAC标准名: (2S,3R,4R)-4-azido-6-[(tert-butyldimethylsilyl)oxy]-2-methyloxan-3-ol
• IUPAC传统名: (2S,3R,4R)-4-azido-6-[(tert-butyldimethylsilyl)oxy]-2-methyloxan-3-ol
• 别名: 1-O-TERT-BUTYLDIMETHYLSILYL 3-AZIDO-2,3,6-TRIDEOXY-L-ALLOPYRANOSE

理论计算性质

• Acid pKa: 13.407001
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.3253
• LogD (pH = 7.4): 2.3252995
• Log P: 2.3854
• 摩尔折射率: 69.0096 cm^3
• 极化性: 29.361319 Å^3
• 极化表面积: 68.12 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%