disodium 2,3-dihydroxybutanedioate

• ChemBase ID: 129561
• Molecular Formular: C4H4Na2O6
• Molecular Mass: 194.0505
• Monoisotopic Mass: 193.98032641
• SMILES: [Na+].[Na+].O=C([O-])C(O)C(O)C(=O)[O-]
• Canonical SMILES: OC(C(C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]
• InChI: InChI=1S/C4H6O6.2Na/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: HELHAJAZNSDZJO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 2,3-dihydroxybutanedioate
• IUPAC Traditional name: disodium tartrate
• Synonyms: Sal tartar; Disodium tartrate; Bisodium tartrate; Sodium L-(+)-tartrate; E335; Sodium tartrate; Disodium tartrate solution; Sodium tartrate dibasic solution; 酒石酸二钠 溶液

Database IDs

• CAS Number: 868-18-8
• EC Number: 231-791-2
• MDL Number: MFCD00064874
• PubChem SID: 24887441; 162223852
• PubChem CID: 13355
• ATC CODE: A06AD21
• Chemspider ID: 12786
• Unique Ingredient Identifier: QTO9JB4MDD
• Wikipedia Title: Sodium_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 ethanol; soluble in water
• Apperance: white crystals
• Density: 1.545 g/cm^3 (dihydrate)
• Absorption Wavelength: λ: 260 nm Amax: 0.070; λ: 280 nm Amax: 0.040
• pH: 7.0-8.0 (25 °C, 1.5 M in H2O)

Safety Information

• German water hazard class: 3
• Safety Statements: R
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Concentration: 1.5 M in H2O (colorless solution at 20 °C)
• Impurities: insoluble matter, passes filter test
• Cation Traces: Al: ≤1 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Bi: ≤1 mg/kg; Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Co: ≤1 mg/kg; Cr: ≤1 mg/kg; Cu: ≤1 mg/kg; Fe: ≤1 mg/kg; K: ≤20 mg/kg; Li: ≤1 mg/kg; Mg: ≤1 mg/kg; Mn: ≤1 mg/kg; Mo: ≤1 mg/kg; Ni: ≤1 mg/kg; Pb: ≤1 mg/L; Sr: ≤1 mg/kg; Zn: ≤1 mg/kg
• Antion Traces: chloride (Cl-): ≤1 mg/kg; sulfate (SO42-): ≤1 mg/kg
• λ: 1.5 M in H2O
• Product Line: BioUltra
• Empirical Formula (Hill Notation): C4H4Na2O6