disodium 2,3-dihydroxybutanedioate dihydrate

• ChemBase ID: 105593
• Molecular Formular: C4H8Na2O8
• Molecular Mass: 230.08106
• Monoisotopic Mass: 230.00145578
• SMILES: O.O.[Na+].[Na+].OC(C(O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].O.O.[Na+].[Na+]
• InChI: InChI=1S/C4H6O6.2Na.2H2O/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;2*1H2/q;2*+1;;/p-2
• InChIKey: FGJLAJMGHXGFDE-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2,3-dihydroxybutanedioate dihydrate
• IUPAC Traditional name: dipotassium dihydrate tartrate
• Synonyms: Tartaric Acid Disodium Salt; L-(+)-TARTARIC ACID DISODIUM SALT DIHYDRATE ACS REAGENT GRADE

Database IDs

• CAS Number: 6106-24-7
• PubChem SID: 162092596
• PubChem CID: 517351

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

• Melting Point: 150°C
• Density: 1.8 g/ml

Safety Information

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

Product Information

• Purity: 99.0-101.0%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02191446

Disodium Salt
Dihydrate
ACS Reagent Grade
Crystalline
Purity: 99.0-101.0%
Insoluble Matter: =0.005%