dipotassium 2-hydroxybutanedioate

• ChemBase ID: 129070
• Molecular Formular: C4H4K2O5
• Molecular Mass: 210.26816
• Monoisotopic Mass: 209.93328659
• SMILES: C(C(C(=O)[O-])O)C(=O)[O-].[K+].[K+]
• Canonical SMILES: [O-]C(=O)CC(C(=O)[O-])O.[K+].[K+]
• InChI: InChI=1S/C4H6O5.2K/c5-2(4(8)9)1-3(6)7;;/h2,5H,1H2,(H,6,7)(H,8,9);;/q;2*+1/p-2
• InChIKey: SVICABYXKQIXBM-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium 2-hydroxybutanedioate
• IUPAC Traditional name: dipotassium malate
• Synonyms: Dipotassium malate; E351; Potassium malate

Database IDs

• CAS Number: 585-09-1
• PubChem SID: 162223370
• PubChem CID: 164689
• Wikipedia Title: Potassium_malate

CALCULATED PROPERTIES

• Acid pKa: 3.198357
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.9168313
• LogD (pH = 7.4): -6.814561
• Log P: -1.1136414
• Molar Refractivity: 46.5494 cm^3
• Polarizability: 9.883143 Å^3
• Polar Surface Area: 100.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true