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868-18-8 molecular structure
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disodium 2,3-dihydroxybutanedioate

ChemBase ID: 129561
Molecular Formular: C4H4Na2O6
Molecular Mass: 194.0505
Monoisotopic Mass: 193.98032641
SMILES and InChIs

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

Cite this record

CBID:129561 http://www.chembase.cn/molecule-129561.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
79299 external link Add to cart Please log in.

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
insoluble in ethanol expand Show data source
soluble in water expand Show data source
Apperance
white crystals expand Show data source
Density
1.545 g/cm3 (dihydrate) expand Show data source
Absorption Wavelength
λ: 260 nm Amax: 0.070 expand Show data source
λ: 280 nm Amax: 0.040 expand Show data source
pH
7.0-8.0 (25 °C, 1.5 M in H2O) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Safety Statements
R expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Concentration
1.5 M in H2O (colorless solution at 20 °C) expand Show data source
Impurities
insoluble matter, passes filter test expand Show data source
Cation Traces
Al: ≤1 mg/kg expand Show data source
As: ≤0.1 mg/kg expand Show data source
Ba: ≤1 mg/kg expand Show data source
Bi: ≤1 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cu: ≤1 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
K: ≤20 mg/kg expand Show data source
Li: ≤1 mg/kg expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Mo: ≤1 mg/kg expand Show data source
Ni: ≤1 mg/kg expand Show data source
Pb: ≤1 mg/L expand Show data source
Sr: ≤1 mg/kg expand Show data source
Zn: ≤1 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤1 mg/kg expand Show data source
sulfate (SO42-): ≤1 mg/kg expand Show data source
λ
1.5 M in H2O expand Show data source
Product Line
BioUltra expand Show data source
Empirical Formula (Hill Notation)
C4H4Na2O6 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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