(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-[(trimethylsilyl)oxy]propyl]-4-{4-[(trimethylsilyl)oxy]phenyl}azetidin-2-one

• ChemBase ID: 291201
• Molecular Formular: C30H37F2NO3Si2
• Molecular Mass: 553.7874864
• Monoisotopic Mass: 553.22800355
• SMILES: O=C1N(c2ccc(F)cc2)[C@H](c2ccc(O[Si](C)(C)C)cc2)[C@H]1CC[C@@H](c1ccc(F)cc1)O[Si](C)(C)C
• Canonical SMILES: Fc1ccc(cc1)N1C(=O)[C@@H]([C@H]1c1ccc(cc1)O[Si](C)(C)C)CC[C@@H](c1ccc(cc1)F)O[Si](C)(C)C
• InChI: InChI=1S/C30H37F2NO3Si2/c1-37(2,3)35-26-17-9-22(10-18-26)29-27(30(34)33(29)25-15-13-24(32)14-16-25)19-20-28(36-38(4,5)6)21-7-11-23(31)12-8-21/h7-18,27-29H,19-20H2,1-6H3/t27-,28+,29-/m1/s1
• InChIKey: JHMCCBLFRSWDAL-SSBOKUKZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-[(trimethylsilyl)oxy]propyl]-4-{4-[(trimethylsilyl)oxy]phenyl}azetidin-2-one
• IUPAC Traditional name: (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-[(trimethylsilyl)oxy]propyl]-4-{4-[(trimethylsilyl)oxy]phenyl}azetidin-2-one
• Synonyms: (3R,4S)-1-(4-Fluorophenyl)-3-((S)-3-(4-fluorophenyl)-3-((trimethylsilyl)oxy)propyl)-4-(4-((trimethylsilyl)oxy)phenyl)azetidin-2-one

Database IDs

• CAS Number: 272778-13-9
• MDL Number: MFCD13194797
• PubChem SID: 180676732
• PubChem CID: 11387325

CALCULATED PROPERTIES

• Acid pKa: 18.599749
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 8.2547
• LogD (pH = 7.4): 8.2547
• Log P: 8.2547
• Molar Refractivity: 141.1135 cm^3
• Polarizability: 58.62636 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%