chempirical

Ferric citrate trihydrate

C6H11FeO10CAS 17217-76-4298.99 g/mol

Open in Covalent MOL file
O−OHOO−OO−OH2OH2OH2OFe3+
AlcoholCarboxylic acid

Properties

Molecular formula
C6H11FeO10
Molar mass
298.99 g/mol
Exact mass
298.9702 Da
logP
-3.73Crippen estimate
Polar surface area
226.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
17217-76-4
SMILES
[O-]C(=O)CC(O)(CC([O-])=O)C([O-])=O.O.O.O.[Fe+3]
InChIKey
HCQHEELQALBYIW-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.Fe.3H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;3*1H2

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

Names and synonyms

4 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, iron(3+) salt, hydrate (1:1:3)
  • Citric acid, iron(3+) salt (1:1), trihydrate
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, iron(3+) salt (1:1), trihydrate
  • Iron(3+) citrate trihydrate

Work with Ferric citrate trihydrate

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

Similar compounds

Iron citrate2338-05-889 % similar Ferrous citrate23383-11-189 % similar Iron(III) citrate3522-50-789 % similar Ammonium ferric citrate1185-57-581 % similar Trilithium citrate tetrahydrate6080-58-681 % similar Tripotassium citrate monohydrate6100-05-681 % similar Sodium citrate dihydrate6132-04-381 % similar Micro-green10024-66-571 % similar

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

Elsewhere

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