[(1R)-1-(2-phenylacetamido)ethyl]phosphonic acid

• ChemBase ID: 203721
• Molecular Formular: C10H14NO4P
• Molecular Mass: 243.196221
• Monoisotopic Mass: 243.06604456
• SMILES: P(=O)([C@@H](NC(=O)Cc1ccccc1)C)(O)O
• Canonical SMILES: C[C@@H](P(=O)(O)O)NC(=O)Cc1ccccc1
• InChI: InChI=1S/C10H14NO4P/c1-8(16(13,14)15)11-10(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)(H2,13,14,15)/t8-/m1/s1
• InChIKey: VMDVDXQQISYHAV-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R)-1-(2-phenylacetamido)ethyl]phosphonic acid
• IUPAC Traditional name: (1R)-1-(2-phenylacetamido)ethylphosphonic acid

Database IDs

• PubChem SID: 164259631
• PubChem CID: 1766885

CALCULATED PROPERTIES

• Acid pKa: 1.503424
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.221649
• LogD (pH = 7.4): -2.3190932
• Log P: 0.07671491
• Molar Refractivity: 59.4101 cm^3
• Polarizability: 23.160458 Å^3
• Polar Surface Area: 86.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: *D-isomer
• Classification: Rare Derivatives of Natural Compounds