D-Gluconic acid, iron(2+) salt, hydrate (2:1:2)

C₁₂H₂₆FeO₁₆CAS 22830-45-1482.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₂H₂₆FeO₁₆
Molar mass: 482.17 g/mol
Exact mass: 482.0570 Da
logP: -4.32Crippen estimate
Polar surface area: 169.9 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 5
Stereocentres: R, S, R, R, R, S, R, Rin SMILES atom order

Identifiers

CAS number

22830-45-1

SMILES

[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O.O.[Fe+2]

InChIKey

WQHWCCNWPQBFKI-ZBHRUSISSA-N

InChI

InChI=1S/C6H12O7.Fe.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);;1H2/t2-,3-,4+,5-;;/m1../s1

Weigh it out

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

Names and synonyms

2 names

Gluconic acid, iron(2+) salt, dihydrate, D-
D-Gluconic acid, iron(2+) salt, dihydrate

Work with D-Gluconic acid, iron(2+) salt, hydrate (2:1:2)

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

Ferrous gluconate dihydrate12389-15-0100 % similar Iron(II) gluconate299-29-691 % similar Magnesium gluconate3632-91-576 % similar Calcium gluconate18016-24-574 % similar Potassium gluconate299-27-474 % similar Calcium gluconate299-28-574 % similar Zinc gluconate4468-02-474 % similar Sodium gluconate527-07-174 % similar

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

Elsewhere

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