Trilithium citrate tetrahydrate

C6H13Li3O11CAS 6080-58-6281.98 g/mol

Open in Covalent MOL file
O−OOHO−OO−OLi+Li+Li+H2OH2OH2OH2O
AlcoholCarboxylic acid

Properties

Molecular formula
C6H13Li3O11
Molar mass
281.98 g/mol
Exact mass
282.0938 Da
logP
-5.69Crippen estimate
Polar surface area
258.1 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

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
6080-58-6
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.[Li+].[Li+].[Li+].O.O.O.O
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

2 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, lithium salt, hydrate (1:3:4)
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, trilithium salt, tetrahydrate

Work with Trilithium citrate tetrahydrate

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.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Ammonium ferric citrate1185-57-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt Clostilbegit50-41-9Salt

Similar compounds

Calcium citrate malate142606-53-950 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-537 % similar Disodium propanedioate hydrate26522-85-035 % similar Lithium trifluoroacetate2923-17-335 % similar Sodium succinate hexahydrate6106-21-435 % similar Copper(II) trifluoroacetate hydrate123333-88-032 % similar Betaine monohydrate17146-86-032 % similar Sodium iminodiacetate dibasic monohydrate17593-73-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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