2-hydroxypropanoate

• ChemBase ID: 180039
• Molecular Formular: C3H5O3-
• Molecular Mass: 89.07
• Monoisotopic Mass: 89.02386902
• SMILES: C(=O)(C(O)C)[O-]
• Canonical SMILES: [O-]C(=O)C(O)C
• InChI: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1
• InChIKey: JVTAAEKCZFNVCJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxypropanoate
• IUPAC Traditional name: lactate
• Synonyms: L-Lactate

Database IDs

• CAS Number: 27871-49-4
• PubChem SID: 164235949
• PubChem CID: 91435

CALCULATED PROPERTIES

• Acid pKa: 3.7849424
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1885695
• LogD (pH = 7.4): -3.7410624
• Log P: -0.4718295
• Molar Refractivity: 29.6769 cm^3
• Polarizability: 7.4274864 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true