(2S)-2-hydroxypropanamide

• ChemBase ID: 148229
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: C[C@@H](C(=O)N)O
• Canonical SMILES: C[C@@H](C(=O)N)O
• InChI: InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)/t2-/m0/s1
• InChIKey: SXQFCVDSOLSHOQ-REOHCLBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-hydroxypropanamide
• IUPAC Traditional name: (2S)-2-hydroxypropanamide
• Synonyms: (S)-(-)-Lactamide; (S)-2-Hydroxypropanamide; (S)-(-)-乳酰胺

Database IDs

• CAS Number: 89673-71-2
• MDL Number: MFCD00198010
• PubChem SID: 162242405; 24867304
• PubChem CID: 1530235

CALCULATED PROPERTIES

• Acid pKa: 13.492279
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.2787721
• LogD (pH = 7.4): -1.2787725
• Log P: -1.2787721
• Molar Refractivity: 20.662 cm^3
• Polarizability: 8.1675 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 53-55 °C(lit.)
• Optical Rotation: [α]20/D -20.5°, c = 10 in H2O

Safety Information

• German water hazard class: 3

Product Information

• Purity: 95+%; 97%
• Linear Formula: CH3CH(OH)CONH2

DETAILS

Sigma Aldrich - 436828

Packaging
10 g in glass bottle