Calcium tartrate

C4H4CaO6CAS 3164-34-9188.15 g/mol

Open in Covalent MOL file
O−OOHOHO−OCa2+
AlcoholCarboxylic acid

Properties

Molecular formula
C4H4CaO6
Molar mass
188.15 g/mol
Exact mass
187.9634 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
3164-34-9
SMILES
[O-]C(=O)[C@H](O)[C@@H](O)C([O-])=O.[Ca+2]
InChIKey
GUPPESBEIQALOS-ZVGUSBNCSA-L
InChI
InChI=1S/C4H6O6.Ca/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+2/p-2/t1-,2-;/m1./s1

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Names and synonyms

7 names
  • Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, calcium salt (1:1)
  • Tartaric acid, calcium salt (1:1)
  • Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-, calcium salt (1:1)
  • Calcium L-tartrate
  • Calcium tartrate (1:1)
  • Calcium L-(+)-tartrate (1:1)
  • Calcium d-tartrate

Work with Calcium 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 saccharate5793-88-481 % similar Calcium D-saccharate tetrahydrate5793-89-571 % similar Calcium L-threonate70753-61-663 % similar Calcium gluconate18016-24-557 % similar D-Arabinonic acid, calcium salt (2:1)22373-09-757 % similar Calcium gluconate299-28-557 % similar Calcium L-lactate28305-25-156 % similar Calcium lactate814-80-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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