(2R)-2-amino-3-hydroxybutanoic acid

• ChemBase ID: 102787
• Molecular Formular: C4H9NO3
• Molecular Mass: 119.11916
• Monoisotopic Mass: 119.05824315
• SMILES: CC(O)[C@@H](N)C(=O)O
• Canonical SMILES: CC([C@H](C(=O)O)N)O
• InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2?,3-/m1/s1
• InChIKey: AYFVYJQAPQTCCC-ZJRLKYRESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-hydroxybutanoic acid
• IUPAC Traditional name: (2R)-2-amino-3-hydroxybutanoic acid
• Synonyms: D-2-Amino-3-hydroxybutyric acid; D-THREONINE

Database IDs

• CAS Number: 632-20-2
• EC Number: 211-171-8
• PubChem SID: 162089796
• PubChem CID: 6399258

CALCULATED PROPERTIES

• Acid pKa: 2.207432
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.4708102
• LogD (pH = 7.4): -3.4806278
• Log P: -3.4709635
• Molar Refractivity: 26.4598 cm^3
• Polarizability: 10.868561 Å^3
• Polar Surface Area: 83.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: XO8580000

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02103048

Purity: 99%
Crystalline