Tripotassium citrate monohydrate

C6H7K3O8CAS 6100-05-6324.41 g/mol

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O−OOHO−OO−OH2OK+K+K+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H7K3O8
Molar mass
324.41 g/mol
Exact mass
323.9052 Da
logP
-3.22Crippen estimate
Polar surface area
163.6 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
6100-05-6
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.O.[K+].[K+].[K+]
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

3 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, potassium salt, hydrate (1:3:1)
  • Citric acid, tripotassium salt, monohydrate
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, tripotassium salt, monohydrate

Work with Tripotassium citrate monohydrate

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 Potassium citrate866-84-2Anhydrous Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt 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 Ethylenediaminetetraacetic acid dipotassium salt dihydrate25102-12-938 % similar EDTA tripotassium salt dihydrate65501-24-838 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-537 % similar Potassium fluoroacetate23745-86-035 % similar Disodium propanedioate hydrate26522-85-035 % similar Potassium trifluoroacetate2923-16-235 % similar Potassium propanoate327-62-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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