potassium (2S)-2-hydroxypropanoate

• ChemBase ID: 158049
• Molecular Formular: C3H5KO3
• Molecular Mass: 128.1683
• Monoisotopic Mass: 127.9875757
• SMILES: C[C@@H](C(=O)[O-])O.[K+]
• Canonical SMILES: [O-]C(=O)[C@@H](O)C.[K+]
• InChI: InChI=1S/C3H6O3.K/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1/t2-;/m0./s1
• InChIKey: PHZLMBHDXVLRIX-DKWTVANSSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium (2S)-2-hydroxypropanoate
• IUPAC Traditional name: potassium L-lactate
• Synonyms: L-Lactic acid potassium salt; Potassium L-lactate solution; L-乳酸 钾盐; L-乳酸钾 溶液

Database IDs

• CAS Number: 85895-78-9
• MDL Number: MFCD00080809
• PubChem SID: 24881864; 162252185
• PubChem CID: 23671664

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

PROPERTIES

Physical Property

• Optical Rotation: [α]20/D -4.3±0.5°, neat
• pH: 6.5-8.5

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ~60%; ~60% (enzymatic)
• Grade: for microbiology
• Linear Formula: CH3CH(OH)COOK