Zinc citrate dihydrate

C₁₂H₁₄O₁₆Zn₃CAS 5990-32-9610.37 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₂H₁₄O₁₆Zn₃
Molar mass: 610.37 g/mol
Exact mass: 605.8156 Da
logP: -12.16Crippen estimate
Polar surface area: 344.2 Å²
H-bond donors / acceptors: 2 / 14
Rotatable bonds: 10

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 105 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, P501

Identifiers

CAS number

5990-32-9

SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]

InChIKey

OXAGUGIXGVHDGD-UHFFFAOYSA-H

InChI

InChI=1S/2C6H8O7.2H2O.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;;;/q;;;;3*+2/p-6

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Zinc citrate dihydrate

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 Zinc citrate546-46-3Anhydrous Citric acid77-92-9Free acid Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Ammonium ferric citrate1185-57-5Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt

Similar compounds

Calcium citrate malate142606-53-950 % similar Calcium β-hydroxy-β-methylbutyrate135236-72-537 % similar Zinc glycinate14281-83-535 % similar Zinc 2,2-dimethylpropanoate15827-10-835 % similar Disodium propanedioate hydrate26522-85-035 % similar Zinc propionate557-28-835 % similar Sodium succinate hexahydrate6106-21-435 % similar Zinc glycinate7214-08-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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