dipotassium (2R,3R)-2,3-dihydroxybutanedioate

• ChemBase ID: 130787
• Molecular Formular: C4H4K2O6
• Molecular Mass: 226.26756
• Monoisotopic Mass: 225.92820121
• SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.[K+].[K+]
• Canonical SMILES: O[C@H]([C@H](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/t1-,2-;;/m1../s1
• InChIKey: AVTYONGGKAJVTE-OLXYHTOASA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium (2R,3R)-2,3-dihydroxybutanedioate
• IUPAC Traditional name: dipotassium (+)-tartrate
• Synonyms: L-(+)Tartaric acid dipotassium salt; L-2,3-二羟基丁二酸 二钾盐; L-(+)-酒石酸 二钾盐

Database IDs

• CAS Number: 921-53-9
• EC Number: 213-067-8
• MDL Number: MFCD00013065
• PubChem SID: 24900411; 162225065
• PubChem CID: 8984

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

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter