chempirical

Ferrous gluconate dihydrate

C12H26FeO16CAS 12389-15-0482.17 g/mol

Open in Covalent MOL file
H2OH2OOO−OHOHOHOHOHOO−OHOHOHOHOHFe2+
AlcoholCarboxylic acid

Properties

Molecular formula
C12H26FeO16
Molar mass
482.17 g/mol
Exact mass
482.0570 Da
logP
-11.31Crippen estimate
Polar surface area
345.6 Ų
H-bond donors / acceptors
10 / 14
Rotatable bonds
10

Identifiers

CAS number
12389-15-0
SMILES
O.O.O=C([O-])C(O)C(O)C(O)C(O)CO.O=C([O-])C(O)C(O)C(O)C(O)CO.[Fe+2]
InChIKey
OKGNXSFAYMSVNN-UHFFFAOYSA-L
InChI
InChI=1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2

Weigh it out

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

Names and synonyms

6 names
  • Iron, bis(D-gluconato-κO1,κO2)-, hydrate (1:2)
  • Gluconic acid, iron(2+) salt, dihydrate
  • Iron, bis(D-gluconato-O1,O2)-, dihydrate
  • Iron, bis(D-gluconato-κO1,κO2)-, dihydrate
  • D-Gluconic acid, iron complex
  • Ferrous D-gluconate dihydrate

Work with Ferrous gluconate 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

Similar compounds

D-Gluconic acid, iron(2+) salt, hydrate (2:1:2)22830-45-1100 % 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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