Ferrous gluconate dihydrateProduct ingredient for Ferrous gluconate

Name
Ferrous gluconate dihydrate
Drug Entry
Ferrous gluconate
Accession Number
DBSALT002772
Structure
Thumb
Synonyms
D-gluconic acid, iron(2+) salt, dihydrate / D-gluconic acid, iron(II) salt (2:1), dihydrate / Ferrous gluconate / Ferrous-gluconate / Iron (II) di-D-gluconate dehydrate / Iron gluconate / Iron(II) gluconate
External IDs
E-579 / Ins no.579 / Ins-579
UNII
U1B11I423Z
CAS Number
6047-12-7
Weight
Average: 482.169
Monoisotopic: 482.057021
Chemical Formula
C12H26FeO16
InChI Key
OKGNXSFAYMSVNN-SYAJEJNSSA-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/t2*2-,3-,4+,5-;;;/m11.../s1
IUPAC Name
lambda2-iron(2+) bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) dihydrate
SMILES
O.O.[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O
ChemSpider
171381
ChEBI
31608
Predicted Properties
PropertyValueSource
Water Solubility36.6 mg/mLALOGPS
logP-2ALOGPS
logP-3.4ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.39ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.28 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity49.11 m3·mol-1ChemAxon
Polarizability16.62 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon