rac-(2R)-2-amino-4-hydroxybutanoic acid

• ChemBase ID: 796885
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: N[C@@H](CCO)C(=O)O
• Canonical SMILES: OCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
• InChIKey: UKAUYVFTDYCKQA-VKHMYHEASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: rac-(2R)-2-amino-4-hydroxybutanoic acid
• IUPAC Traditional name: rac-D-homoserine
• Synonyms: DL-HoMoserine

Database IDs

• CAS Number: 1927-25-9

CALCULATED PROPERTIES

• Acid pKa: 2.2233198
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.8276682
• LogD (pH = 7.4): -3.8344793
• Log P: -3.8277326
• Molar Refractivity: 26.9064 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%