(3R,4S)-4-phenyl-3-[(triethylsilyl)oxy]azetidin-2-one

• ChemBase编号: 178819
• 分子式: C15H23NO2Si
• 平均质量: 277.43412
• 单一同位素质量: 277.14980551
• SMILES: [C@@H]1([C@H](C(=O)N1)O[Si](CC)(CC)CC)c1ccccc1
• Canonical SMILES: CC[Si](O[C@H]1C(=O)N[C@H]1c1ccccc1)(CC)CC
• InChI: InChI=1S/C15H23NO2Si/c1-4-19(5-2,6-3)18-14-13(16-15(14)17)12-10-8-7-9-11-12/h7-11,13-14H,4-6H2,1-3H3,(H,16,17)/t13-,14+/m0/s1
• InChIKey: FZWHCVWKYWKZHE-UONOGXRCSA-N

名称和登记号

名称

• IUPAC标准名: (3R,4S)-4-phenyl-3-[(triethylsilyl)oxy]azetidin-2-one
• IUPAC传统名: (3R,4S)-4-phenyl-3-[(triethylsilyl)oxy]azetidin-2-one
• 别名: (3R,4S)-4-Phenyl-3-[(triethylsilyl)oxy]-2-azetidinone; (3R-cis)-4-Phenyl-3-[(triethylsilyl)oxy]-2-azetidinone; (3R,4S)-3-[(Triethylsilyl)oxy]-4-phenyl-2-azetidinone

登记号

• CAS号: 149140-54-5
• PubChem SID: 164234729
• PubChem CID: 10826417

理论计算性质

• Acid pKa: 11.508459
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.2797997
• LogD (pH = 7.4): 3.2797687
• Log P: 3.2798
• 摩尔折射率: 73.4122 cm^3
• 极化性: 31.000942 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; Ethyl Acetate
• 外观: White Solid
• 熔点: 69-72°C

安全信息

• 保存条件: Refrigerator