(5R)-5-(methoxymethyl)-1,3-oxazolidin-2-one

• ChemBase ID: 288346
• Molecular Formular: C5H9NO3
• Molecular Mass: 131.12986
• Monoisotopic Mass: 131.05824315
• SMILES: O=C1O[C@@H](COC)CN1
• Canonical SMILES: COC[C@H]1CNC(=O)O1
• InChI: InChI=1S/C5H9NO3/c1-8-3-4-2-6-5(7)9-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m1/s1
• InChIKey: XUOARDLJYIUVLJ-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5R)-5-(methoxymethyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (5R)-5-(methoxymethyl)-1,3-oxazolidin-2-one
• Synonyms: (R)-5-(Methoxymethyl)oxazolidin-2-one

Database IDs

• CAS Number: 241139-32-2
• MDL Number: MFCD02682989
• PubChem SID: 180673877
• PubChem CID: 15550531

CALCULATED PROPERTIES

• Acid pKa: 12.949189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.34605452
• LogD (pH = 7.4): -0.3460556
• Log P: -0.3460545
• Molar Refractivity: 29.7309 cm^3
• Polarizability: 11.924967 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%