[(R)-amino(phenyl)methyl](hydroxymethyl)phosphinic acid

• ChemBase ID: 190196
• Molecular Formular: C8H12NO3P
• Molecular Mass: 201.159541
• Monoisotopic Mass: 201.05547988
• SMILES: P(=O)([C@H](c1ccccc1)N)(CO)O
• Canonical SMILES: OCP(=O)([C@H](c1ccccc1)N)O
• InChI: InChI=1S/C8H12NO3P/c9-8(13(11,12)6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2,(H,11,12)/t8-/m1/s1
• InChIKey: XZQAFCPYKBIGJE-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(R)-amino(phenyl)methyl](hydroxymethyl)phosphinic acid
• IUPAC Traditional name: (R)-amino(phenyl)methyl(hydroxymethyl)phosphinic acid

Database IDs

• PubChem SID: 164246106
• PubChem CID: 905024

CALCULATED PROPERTIES

• Acid pKa: -0.7251788
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.0532349
• LogD (pH = 7.4): -1.0655993
• Log P: -1.0530874
• Molar Refractivity: 49.2829 cm^3
• Polarizability: 19.912142 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds