potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate

• ChemBase ID: 130866
• Molecular Formular: C4H12KNaO10
• Molecular Mass: 282.22015
• Monoisotopic Mass: 281.99652255
• SMILES: [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
• Canonical SMILES: O[C@H]([C@H](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/t1-,2-;;;;;;/m1....../s1
• InChIKey: VZOPRCCTKLAGPN-ZFJVMAEJSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate
• IUPAC Traditional name: potassium sodium (+)-tartrate tetrahydrate
• Synonyms: L(+)-Tartaric acid potassium Sodium salt; Rochelle salt; Seignette salt; Potassium sodium tartrate tetrahydrate; L(+)-酒石酸 钾钠盐; 洛瑟尔氏盐; 罗谢尔盐; 酒石酸钾钠 四水合物

Database IDs

• CAS Number: 6381-59-5
• EC Number: 206-156-8
• MDL Number: MFCD00150989
• Beilstein Number: 6113568
• PubChem SID: 24853005; 24863692; 24899689; 24881874; 162225144; 24859214; 24899519; 24855283
• PubChem CID: 165453

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: soluble1 M at 20 °C, clear, colorless
• Optical Rotation: [α]20/D +22±1°, c = 1% in H2O; [α]20/D +28.0 to +30.0°
• Absorption Wavelength: λ: 260 nm Amax: 0.026; λ: 280 nm Amax: 0.022
• pH: 6.0-8.5 (25 °C, 50 mg/mL in H2O); 6.5-8.5 (20 °C, 1%); 7.0-8.5 (20 °C, 5%); 7.0-8.5 (25 °C, 1 M in H2O); 7.0-8.5 (25 °C, 50 mg/mL in H2O)

Safety Information

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

Product Information

• Purity: ≥99%; ≥99.0%; ≥99.0% (NT); ≥99.5%; ≥99.5% (NT); ≥99.5% (perchloric acid titration); 99%; 99.0-101.0% (calc. on H2O free substance); 99.0-102.0% (ACS specification); 99.98% trace metals basis
• Grade: ACS reagent; ACS reagent, reag. ISO, reag. Ph. Eur.; JIS special grade; puriss.; puriss. p.a.; purum p.a.; ReagentPlus®; SAJ first grade
• Suitability: meets USP testing specifications; passes test for appearance of solution
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.001% Phosphorus (P); ≤0.001% total nitrogen (N); ≤0.002% total nitrogen (N); ≤0.003% total nitrogen (N); ≤0.004% ammonium (NH4); ≤0.004% free alkali (as NaOH); ≤0.005% insolubles; ≤0.0075% free acid (as C4H6O6); ≤0.1% Insoluble matter; 24-26% water (Karl Fischer); acidity or alkalinity, in accordance; insoluble matter, passes filter test; residual solvent, complies
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤1 mg/kg; Ba: ≤5 mg/kg; Ba:, in accordance; Bi: ≤5 mg/kg; Ca: ≤0.001%; Ca: ≤0.005%; Ca: ≤10 mg/kg; Ca: ≤25 mg/kg; Ca: ≤40 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 (as Pb): ≤5 ppm; Hg: ≤1 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.002%; NH4+: ≤20 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤2 mg/kg; 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-): ≤0.001%; chloride (Cl-): ≤0.05%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤0.002%; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: 21-26% loss on drying, 150 °C, 3 h
• pH Range: 6.0 - 8.5
• Quality: crystallized; meets analytical specification of Ph. Eur., BP, USP, FC, E 337
• λ: 1 M in H2O
• Product Line: BioUltra
• Linear Formula: KOCOCH(OH)CH(OH)COONa · 4H2O

DETAILS

Sigma Aldrich - S2377

包装
1 kg in poly bottle
5 kg in poly drum
500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 217255

Packaging
100, 500 g in poly bottle
12 kg in fiber drum
2.5 kg in poly bottle

Sigma Aldrich - 379832

Packaging
5, 25 g in poly bottle