potassium 3-carboxy-2,3-dihydroxypropanoate

• ChemBase ID: 129055
• Molecular Formular: C4H5KO6
• Molecular Mass: 188.1772
• Monoisotopic Mass: 187.97231956
• SMILES: C(C(C(=O)[O-])O)(C(=O)O)O.[K+]
• Canonical SMILES: [O-]C(=O)C(C(C(=O)O)O)O.[K+]
• InChI: InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1
• InChIKey: KYKNRZGSIGMXFH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium 3-carboxy-2,3-dihydroxypropanoate
• IUPAC Traditional name: potassium 3-carboxy-2,3-dihydroxypropanoate
• Synonyms: potassium hydrogen tartrate; cream of tartar; potassium acid tartrate; monopotassium tartrate; Potassium bitartrate; L-Tartaric acid monopotassium salt; Potassium bitartrate; Potassium hydrogen L-tartrate; L-酒石酸氢钾

Database IDs

• CAS Number: 868-14-4
• EC Number: 212-769-1
• MDL Number: MFCD00065392
• Beilstein Number: 6119985
• Merck Index: 147615
• PubChem SID: 162223355
• PubChem CID: 23666342
• ATC CODE: A12BA03
• Wikipedia Title: Potassium_bitartrate

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 37.0505 cm^3
• Polarizability: 10.751013 Å^3
• Polar Surface Area: 117.89 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: soluble in acid, alkali ; insoluble in acetic acid, alcohol
• Apperance: white crystalline powder
• Melting Point: ca 267°C dec.
• Density: 1.05 g/cm^3 (solid); 1.954
• Refractive Index: 1.511

Safety Information

• RTECS: WW8223000
• TSCA Listed: 是

Product Information

• Purity: 98+%