potassium 2-hydroxypropanoate

• ChemBase ID: 110951
• Molecular Formular: C3H5KO3
• Molecular Mass: 128.1683
• Monoisotopic Mass: 127.9875757
• SMILES: [K+].CC(O)C(=O)[O-]
• Canonical SMILES: [O-]C(=O)C(O)C.[K+]
• InChI: InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1
• InChIKey: PHZLMBHDXVLRIX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 2-hydroxypropanoate
• IUPAC Traditional name: potassium lactate; potassium ion lactate
• Synonyms: Potassium lactate; POTASSIUM LACTATE, 50% SOLUTION

Database IDs

• CAS Number: 85895-78-9; 996-31-6
• PubChem SID: 162103037
• PubChem CID: 23671663; 61248
• ATC CODE: B05XA15
• CHEMBL: 1200664
• Chemspider ID: 55189
• Wikipedia Title: Potassium_lactate

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

DETAILS

MP Biomedicals - 05217140

MP Biomedicals Rare Chemical collection