benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

• ChemBase ID: 290192
• Molecular Formular: C14H17NO4
• Molecular Mass: 263.28908
• Monoisotopic Mass: 263.11575803
• SMILES: O=C(N1C(C)(C)OC[C@@H]1C=O)OCc1ccccc1
• Canonical SMILES: O=C[C@H]1COC(N1C(=O)OCc1ccccc1)(C)C
• InChI: InChI=1S/C14H17NO4/c1-14(2)15(12(8-16)10-19-14)13(17)18-9-11-6-4-3-5-7-11/h3-8,12H,9-10H2,1-2H3/t12-/m0/s1
• InChIKey: HMOZTZIZWRRDMM-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• IUPAC Traditional name: benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• Synonyms: (R)-Benzyl 4-formyl-2,2-dimethyloxazolidine-3-carboxylate

Database IDs

• CAS Number: 133464-37-6
• PubChem SID: 180675723
• PubChem CID: 11414364

CALCULATED PROPERTIES

• Acid pKa: 14.533395
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6613475
• LogD (pH = 7.4): 1.6613475
• Log P: 1.6613475
• Molar Refractivity: 69.1481 cm^3
• Polarizability: 27.023561 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%