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

• ChemBase ID: 178819
• Molecular Formular: C15H23NO2Si
• Molecular Mass: 277.43412
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-4-phenyl-3-[(triethylsilyl)oxy]azetidin-2-one
• IUPAC Traditional name: (3R,4S)-4-phenyl-3-[(triethylsilyl)oxy]azetidin-2-one
• Synonyms: (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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 11.508459
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2797997
• LogD (pH = 7.4): 3.2797687
• Log P: 3.2798
• Molar Refractivity: 73.4122 cm^3
• Polarizability: 31.000942 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: White Solid
• Melting Point: 69-72°C

Safety Information

• Storage Condition: Refrigerator