dipotassium 2,3-dihydroxybutanedioate

• ChemBase ID: 129082
• Molecular Formular: C4H4K2O6
• Molecular Mass: 226.26756
• Monoisotopic Mass: 225.92820121
• SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].[K+].[K+]
• InChI: InChI=1S/C4H6O6.2K/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2
• InChIKey: AVTYONGGKAJVTE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium 2,3-dihydroxybutanedioate
• IUPAC Traditional name: dipotassium tartrate
• Synonyms: Dipotassium tartrate; Argol; E336; Potassium tartrate

Database IDs

• CAS Number: 921-53-9
• PubChem SID: 162223381
• PubChem CID: 6100505; 8984
• Chemspider ID: 2697916
• Wikipedia Title: Potassium_tartrate

CALCULATED PROPERTIES

• Acid pKa: 2.719041
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -5.323427
• LogD (pH = 7.4): -7.890869
• Log P: -1.8287998
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 10.630576 Å^3
• Polar Surface Area: 120.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in alcohol
• Apperance: colorless, slightly opaque crystals
• Density: 1.984 g/cm^3
• Refractive Index: 1.550