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

C12H26FeO16CAS 22830-45-1482.17 g/mol

Open in Covalent MOL file
O−OOHOHOHOHOHO−OOHOHOHOHOHH2OH2OFe2+
AlcoholCarboxylic 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 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
5
Stereocentres
R, S, R, R, R, S, R, Rin SMILES atom order

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
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]
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

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

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.

Iron(II) gluconate299-29-6Anhydrous, stereo not defined Gluconic acid526-95-4Free acid Ferrous gluconate dihydrate12389-15-0Stereo not defined Chlorhexidine gluconate18472-51-0Salt Sodium gluconate527-07-1Salt Zinc gluconate4468-02-4Salt, stereo not defined Magnesium gluconate3632-91-5Salt Potassium gluconate299-27-4Salt Calcium gluconate18016-24-5Salt Calcium gluconate299-28-5Salt Bis(D-gluconato-kappaO1,kappaO2)copper527-09-3Salt Manganese gluconate6485-39-8Salt, stereo not defined

Similar compounds

Sodium α-glucoheptonate13007-85-772 % similar Sodium glucoheptonate31138-65-572 % similar D-Arabinonic acid, calcium salt (2:1)22373-09-769 % similar L-Threonic acid magnesium salt778571-57-661 % similar Calcium D-saccharate tetrahydrate5793-89-557 % similar Calcium L-threonate70753-61-657 % similar Potassium (2R,3R)-2,3,4-trihydroxybutanoate88759-55-157 % similar Calcium saccharate5793-88-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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