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6381-59-5 molecular structure
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potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate

ChemBase ID: 130866
Molecular Formular: C4H12KNaO10
Molecular Mass: 282.22015
Monoisotopic Mass: 281.99652255
SMILES and InChIs

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

Cite this record

CBID:130866 http://www.chembase.cn/molecule-130866.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.719041  H Acceptors
H Donor LogD (pH = 5.5) -5.323427 
LogD (pH = 7.4) -7.890869  Log P -1.8287998 
Molar Refractivity 47.8876 cm3 Polarizability 10.630576 Å3
Polar Surface Area 120.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble1 M at 20 °C, clear, colorless expand Show data source
Optical Rotation
[α]20/D +22±1°, c = 1% in H2O expand Show data source
[α]20/D +28.0 to +30.0° expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.026 expand Show data source
λ: 280 nm Amax: 0.022 expand Show data source
pH
6.0-8.5 (25 °C, 50 mg/mL in H2O) expand Show data source
6.5-8.5 (20 °C, 1%) expand Show data source
7.0-8.5 (20 °C, 5%) expand Show data source
7.0-8.5 (25 °C, 1 M in H2O) expand Show data source
7.0-8.5 (25 °C, 50 mg/mL in H2O) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99% expand Show data source
≥99.0% expand Show data source
≥99.0% (NT) expand Show data source
≥99.5% expand Show data source
≥99.5% (NT) expand Show data source
≥99.5% (perchloric acid titration) expand Show data source
99% expand Show data source
99.0-101.0% (calc. on H2O free substance) expand Show data source
99.0-102.0% (ACS specification) expand Show data source
99.98% trace metals basis expand Show data source
Grade
ACS reagent expand Show data source
ACS reagent, reag. ISO, reag. Ph. Eur. expand Show data source
JIS special grade expand Show data source
puriss. expand Show data source
puriss. p.a. expand Show data source
purum p.a. expand Show data source
ReagentPlus® expand Show data source
SAJ first grade expand Show data source
Suitability
meets USP testing specifications expand Show data source
passes test for appearance of solution expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤0.001% Phosphorus (P) expand Show data source
≤0.001% total nitrogen (N) expand Show data source
≤0.002% total nitrogen (N) expand Show data source
≤0.003% total nitrogen (N) expand Show data source
≤0.004% ammonium (NH4) expand Show data source
≤0.004% free alkali (as NaOH) expand Show data source
≤0.005% insolubles expand Show data source
≤0.0075% free acid (as C4H6O6) expand Show data source
≤0.1% Insoluble matter expand Show data source
24-26% water (Karl Fischer) expand Show data source
acidity or alkalinity, in accordance expand Show data source
insoluble matter, passes filter test expand Show data source
residual solvent, complies expand Show data source
Cation Traces
Al: ≤0.0005% expand Show data source
Al: ≤5 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
As: ≤1 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Ba:, in accordance expand Show data source
Bi: ≤5 mg/kg expand Show data source
Ca: ≤0.001% expand Show data source
Ca: ≤0.005% expand Show data source
Ca: ≤10 mg/kg expand Show data source
Ca: ≤25 mg/kg expand Show data source
Ca: ≤40 mg/kg expand Show data source
Ca: ≤50 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Cd: ≤50 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Co: ≤50 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤0.0005% expand Show data source
Cu: ≤10 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Cu: ≤50 mg/kg expand Show data source
Fe: ≤0.0005% expand Show data source
Fe: ≤0.001% expand Show data source
Fe: ≤10 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
Fe: ≤50 mg/kg expand Show data source
heavy metals (as Pb): ≤5 ppm expand Show data source
Hg: ≤1 mg/kg expand Show data source
Li: ≤5 mg/kg expand Show data source
Mg: ≤0.0005% expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Mo: ≤5 mg/kg expand Show data source
NH4+: ≤0.002% expand Show data source
NH4+: ≤20 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Ni: ≤50 mg/kg expand Show data source
Pb: ≤0.001% expand Show data source
Pb: ≤2 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Pb: ≤50 mg/kg expand Show data source
Sr: ≤5 mg/kg expand Show data source
Zn: ≤0.0005% expand Show data source
Zn: ≤10 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Zn: ≤50 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤0.001% expand Show data source
chloride (Cl-): ≤0.05% expand Show data source
chloride (Cl-): ≤10 mg/kg expand Show data source
chloride (Cl-): ≤20 mg/kg expand Show data source
chloride (Cl-): ≤5 mg/kg expand Show data source
chloride (Cl-): ≤50 mg/kg expand Show data source
phosphate (PO43-): ≤0.002% expand Show data source
phosphate (PO43-): ≤10 mg/kg expand Show data source
sulfate (SO42-): ≤0.005% expand Show data source
sulfate (SO42-): ≤50 mg/kg expand Show data source
Loss on Drying
21-26% loss on drying, 150 °C, 3 h expand Show data source
pH Range
6.0 - 8.5 expand Show data source
Quality
crystallized expand Show data source
meets analytical specification of Ph. Eur., BP, USP, FC, E 337 expand Show data source
λ
1 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
KOCOCH(OH)CH(OH)COONa · 4H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - S2377 external link
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 - 379832 external link
Packaging
5, 25 g in poly bottle
Sigma Aldrich - 217255 external link
Packaging
100, 500 g in poly bottle
12 kg in fiber drum
2.5 kg in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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