Barium tartrate

C4H4BaO6CAS 5908-81-6285.40 g/mol

Open in Covalent MOL file
O−OOHOHO−OBa2+
AlcoholCarboxylic acid

Properties

Molecular formula
C4H4BaO6
Molar mass
285.40 g/mol
Exact mass
285.9060 Da
logP
-2.50Crippen estimate
Polar surface area
115.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
3
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
5908-81-6
SMILES
[O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O.[Ba+2]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

5 names
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, barium salt (1:1)
  • Tartaric acid, barium salt (1:1)
  • Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, barium salt (1:1)
  • Tartaric acid barium salt
  • Barium L-(+)-tartrate

Work with Barium tartrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt Choline bitartrate87-67-2Salt (-)-Norepinephrine (+)-bitartrate51-40-1Salt

Similar compounds

Calcium saccharate5793-88-458 % similar Calcium D-saccharate tetrahydrate5793-89-552 % similar Potassium acid saccharate576-42-148 % similar Calcium L-threonate70753-61-647 % similar L-Threonic acid magnesium salt778571-57-647 % similar Potassium (2R,3R)-2,3,4-trihydroxybutanoate88759-55-147 % similar Trisodium isocitrate1637-73-644 % similar Magnesium gluconate3632-91-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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