disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate

• ChemBase ID: 105979
• Molecular Formular: C4H8Na2O8
• Molecular Mass: 230.08106
• Monoisotopic Mass: 230.00145578
• SMILES: O.O.[Na+].[Na+].O[C@H]([C@@H](O)C(=O)[O-])C(=O)[O-]
• Canonical SMILES: O[C@H]([C@H](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/t1-,2-;;;;/m1..../s1
• InChIKey: FGJLAJMGHXGFDE-DGFHWNFOSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium (2R,3R)-2,3-dihydroxybutanedioate dihydrate
• IUPAC Traditional name: disodium (+)-tartrate dihydrate
• Synonyms: L-(+)-Tartaric acid disodium salt; Disodium tartrate dihydrate; Sodium tartrate dihydrate; L-Tartaric acid disodium salt dihydrate; Disodium L-(+)-tartrate; Sodium L-(+)-tartrate dihydrate; Sodium L-(+)-tartrate dihydrate, ACS; Sodium tartrate; L-(+)-TARTARIC ACID DISODIUM SALT DIHYDRATE; Sodium tartrate dibasic dihydrate; Sodium tartrate dibasic dihydrate; Sodium L-tartrate dibasic dihydrate; 二水L-(+)-酒石酸钠; 二水L-(+)-酒石酸钠, ACS; L-(+)-酒石酸 二钠盐; 酒石酸二钠 二水合物; 酒石酸钠二水合物; 酒石酸钠 二元 二水合物; 酒石酸钠 二元 二水合物

Database IDs

• CAS Number: 6106-24-7
• EC Number: 212-773-3
• MDL Number: MFCD00150035
• Beilstein Number: 6121732
• Merck Index: 148684
• PubChem SID: 24853705; 24886337; 24855293; 24899620; 24859230; 162092973; 24900383
• PubChem CID: 12598458

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: H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; Soluble in water
• Apperance: Granular
• Melting Point: 150°C; ca 150°C -2H{2}O
• Density: 1.8 g/ml; 1.82
• Optical Rotation: [α]20/D +26±1°, c = 10% in H2O; [α]20/D +26°, c = 1 in H2O
• Absorption Wavelength: λ: 260 nm Amax: 0.025; λ: 280 nm Amax: 0.020
• pH: 7.0-7.5 (20 °C, 1%); 7.0-9.0 (25 °C, 0.1 M in H2O); 7.0-9.0 (25 °C, 50 mg/mL in H2O); 7-9 (20 °C, 5%)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: WW8150000
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (NT); ≥99%; ≥99.0%; ≥99.0% (NT); ≥99.5%; 99%; 99.0-101.0%; 99.0-101.0% (ACS specification); 99.0-101.0% (non-aqueous titration)
• Grade: ACS reagent; JIS special grade; puriss. p.a.; purum p.a.
• Impurities: ≤0.0005% heavy metals (as Pb); ≤0.0005% Phosphorus (P); ≤0.001% ammonium (NH4); ≤0.002% total nitrogen (N); ≤0.005% Insoluble matter; ≤0.005% insoluble matter, passes filter test; ≤0.005% insolubles; residual solvents, in accordance
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤2 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤0.01%; Ca: ≤10 mg/kg; Ca: ≤100 mg/kg; Ca: ≤20 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤10 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤0.001%; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals: ≤5 ppm; Hg: ≤1 mg/kg; K: ≤0.005%; K: ≤200 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.003%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.0005%; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤5 ppm; chloride (Cl-): ≤50 mg/kg; oxalate (as oxalic acid): ≤100 mg/kg; phosphate (PO43-): ≤5 mg/kg; phosphate (PO43-): ≤5 ppm; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤17% loss on drying, 150 °C, 4 h; 15.5-15.81% loss on drying, 150 °C, 4 h; 15.61-15.71% loss on drying; 15.61-15.71% loss on drying, 150 °C, 4 h
• pH Range: 7.0 - 9.0
• Quality: meets analytical specification of E335
• λ: 0.1 M in H2O
• Product Line: BioUltra
• Empirical Formula (Hill Notation): C4H4Na2O6 · 2H2O

DETAILS

MP Biomedicals - 02195503

Disodium Salt
Crystalline
Dihydrate

Sigma Aldrich - 71994

Other Notes
Increases the rate of colchicine binding to tubulin1; Acid phosphatase inhibitor2

Sigma Aldrich - 228729

Packaging
1 kg in poly bottle
100, 500 g in poly bottle
5 g in glass bottle