potassium sodium 2,3-dihydroxybutanedioate tetrahydrate

• ChemBase ID: 102989
• Molecular Formular: C4H12KNaO10
• Molecular Mass: 282.22015
• Monoisotopic Mass: 281.99652255
• SMILES: O.O.O.O.[Na+].[K+].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].O.O.O.O.[Na+].[K+]
• InChI: InChI=1S/C4H6O6.K.Na.4H2O/c5-1(3(7)8)2(6)4(9)10;;;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;4*1H2/q;2*+1;;;;/p-2
• InChIKey: VZOPRCCTKLAGPN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium sodium 2,3-dihydroxybutanedioate tetrahydrate
• IUPAC Traditional name: potassium sodium tetrahydrate tartrate; potassium potassium ion tetrahydrate tartrate
• Synonyms: Sodium potassium L-tartrate tetrahydrate; Potassium sodium L-tartrate tetrahydrate; Sodium potassium tartrate; Potassium sodium L-tartrate tetrahydrate, ACS; Rochelle Salt; Seignette salt; L(+)-Tartaric acid potassium sodium salt; Potassium sodium tartrate tetrahydrate; SODIUM POTASSIUM TARTRATE TETRAHYDRATE; L-酒石酸钾钠四水合物; L-酒石酸钾钠四水合物, ACS

Database IDs

• CAS Number: 6381-59-5
• EC Number: 206-156-8
• MDL Number: MFCD00150989
• Beilstein Number: 6113568
• Merck Index: 147670
• PubChem SID: 162090366
• PubChem CID: 2724148

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: Soluble in water. Insoluble in alcohol
• Apperance: Crystalline
• Melting Point: 70-80°C
• Density: 1.77
• Optical Rotation: +21 (c=1 in water)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• TSCA Listed: 是

Product Information

• Purity: 99%; 99.0-102.0%

DETAILS

MP Biomedicals - 02150156

Crystalline
Purity: 99%