[(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate

• ChemBase ID: 798440
• Molecular Formular: C11H12FNO5S
• Molecular Mass: 289.2800832
• Monoisotopic Mass: 289.04202171
• SMILES: O1C(=O)N(C[C@@H]1COS(=O)(=O)C)c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)N1C[C@@H](OC1=O)COS(=O)(=O)C
• InChI: InChI=1S/C11H12FNO5S/c1-19(15,16)17-7-10-6-13(11(14)18-10)9-4-2-3-8(12)5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
• InChIKey: MSMCRHMUBYTUJP-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
• IUPAC Traditional name: [(5R)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
• Synonyms: (5r)-3-(3-fluorophenyl)-5-(((methylsulfonyl)oxy)methyl)-2-oxazolidinone

Database IDs

• CAS Number: 380380-55-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.9713197
• LogD (pH = 7.4): 0.9713197
• Log P: 0.9713197
• Molar Refractivity: 62.6229 cm^3
• Polarizability: 25.476496 Å^3
• Polar Surface Area: 72.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%