(4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino]({4-[(trimethylsilyl)oxy]phenyl})methyl]-5-[(trimethylsilyl)oxy]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 288409
• Molecular Formular: C39H46F2N2O5Si2
• Molecular Mass: 716.9607464
• Monoisotopic Mass: 716.29133209
• SMILES: O=C1OC[C@H](c2ccccc2)N1C(=O)[C@@H]([C@H](Nc1ccc(F)cc1)c1ccc(O[Si](C)(C)C)cc1)CC[C@@H](c1ccc(F)cc1)O[Si](C)(C)C
• Canonical SMILES: Fc1ccc(cc1)N[C@@H]([C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)CC[C@@H](c1ccc(cc1)F)O[Si](C)(C)C)c1ccc(cc1)O[Si](C)(C)C
• InChI: InChI=1S/C39H46F2N2O5Si2/c1-49(2,3)47-33-22-14-29(15-23-33)37(42-32-20-18-31(41)19-21-32)34(24-25-36(48-50(4,5)6)28-12-16-30(40)17-13-28)38(44)43-35(26-46-39(43)45)27-10-8-7-9-11-27/h7-23,34-37,42H,24-26H2,1-6H3/t34-,35-,36+,37-/m1/s1
• InChIKey: XXMINDVVBVJXLN-GOFGAPPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino]({4-[(trimethylsilyl)oxy]phenyl})methyl]-5-[(trimethylsilyl)oxy]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-3-[(2R,5S)-5-(4-fluorophenyl)-2-[(S)-[(4-fluorophenyl)amino]({4-[(trimethylsilyl)oxy]phenyl})methyl]-5-[(trimethylsilyl)oxy]pentanoyl]-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (S)-3-((2R,5S)-5-(4-Fluorophenyl)-2-((S)-((4-fluorophenyl)amino)(4-((trimethylsilyl)oxy)phenyl)methyl)-5-((trimethylsilyl)oxy)pentanoyl)-4-phenyloxazolidin-2-one

Database IDs

• CAS Number: 272778-12-8
• MDL Number: MFCD08460200
• PubChem SID: 180673940
• PubChem CID: 11411498

CALCULATED PROPERTIES

• Acid pKa: 19.513767
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 10.235201
• LogD (pH = 7.4): 10.239741
• Log P: 10.2398
• Molar Refractivity: 186.1943 cm^3
• Polarizability: 75.67065 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%