(2R)-2-amino-3-(phosphonooxy)propanoic acid

• ChemBase ID: 104517
• Molecular Formular: C3H8NO6P
• Molecular Mass: 185.072481
• Monoisotopic Mass: 185.00892361
• SMILES: N[C@H](COP(=O)(O)O)C(=O)O
• Canonical SMILES: OC(=O)[C@@H](COP(=O)(O)O)N
• InChI: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
• InChIKey: BZQFBWGGLXLEPQ-UWTATZPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-(phosphonooxy)propanoic acid
• IUPAC Traditional name: O-phospho-D-serine
• Synonyms: D-2-Amino-3-hydroxypropanoic acid 3-phosphate; O-PHOSPHO-D-SERINE

Database IDs

• CAS Number: 73913-63-0
• PubChem SID: 162091830
• PubChem CID: 439747

CALCULATED PROPERTIES

• Acid pKa: 1.1985006
• H Acceptors: 6
• H Donor: 4
• LogD (pH = 5.5): -6.087564
• LogD (pH = 7.4): -7.322204
• Log P: -3.180275
• Molar Refractivity: 32.9139 cm^3
• Polarizability: 13.703259 Å^3
• Polar Surface Area: 130.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02156241

Crystalline