Survey with prize
Record Information
Version1.0
Creation date2010-04-08 22:11:29 UTC
Update date2015-07-20 23:11:33 UTC
Primary IDFDB014806
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameFerrous gluconate
DescriptionDietary supplement, food colour for ripe olives Iron(II) gluconate, or ferrous gluconate, is a black compound often used as an iron supplement. It is the iron(II) salt of gluconic acid. It is marketed under brand names such as Fergon, Ferralet, and Simron. It is also present in the combination supplement dianazene, a vitamin mixture created by L. Ron Hubbard and used in the religion Scientology.
CAS Number299-29-6
Structure
Thumb
Synonyms
SynonymSource
Ferrous gluconic acidGenerator
apo-Ferrous gluconateMeSH
DextriferronMeSH
Eisen-sandozMeSH
FeG ironMeSH
FergonMeSH
Ferrogluconaat fnaMeSH
Ferrum verlaMeSH
LoesferronMeSH
LosferronMeSH
Rulofer gMeSH
SimronMeSH
vitaferro BrauseMeSH
FerrogluconMeSH
Acroferondb_source
Apo-ferrous gluconatebiospider
Bis(D-gluconato-O1,O2)irondb_source
E579db_source
Enterondb_source
Ferrous gluconate, USANdb_source
Gluconic acid iron saltbiospider
Haemex-Gdb_source
Iron digluconatebiospider
Iron gluconatebiospider
Iron-II gluconatebiospider
Iron(II) gluconatedb_source
Ironatedb_source
Neoferrondb_source
Predicted Properties
PropertyValueSource
Water Solubility36.6 g/LALOGPS
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 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity49.11 m³·mol⁻¹ChemAxon
Polarizability16.5 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC12H22FeO14
IUPAC nameλ²-iron(2+) ion bis(2,3,4,5,6-pentahydroxyhexanoate)
InChI IdentifierInChI=1S/2C6H12O7.Fe/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;/h2*2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2
InChI KeyVRIVJOXICYMTAG-UHFFFAOYSA-L
Isomeric SMILES[Fe++].OCC(O)C(O)C(O)C(O)C([O-])=O.OCC(O)C(O)C(O)C(O)C([O-])=O
Average Molecular Weight446.14
Monoisotopic Molecular Weight446.035897545
Classification
Description belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassHydroxy acids and derivatives
Sub ClassMedium-chain hydroxy acids and derivatives
Direct ParentMedium-chain hydroxy acids and derivatives
Alternative Parents
Substituents
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Monosaccharide
  • Carboxylic acid salt
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organic transition metal salt
  • Monocarboxylic acid or derivatives
  • Polyol
  • Carbonyl group
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic salt
  • Organooxygen compound
  • Alcohol
  • Primary alcohol
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Disposition

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 32.31%; H 4.97%; Fe 12.52%; O 50.21%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID9291
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB35997
CRC / DFC (Dictionary of Food Compounds) IDCBW08-O:JWC11-E
EAFUS ID1386
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1347781
SuperScent IDNot Available
Wikipedia IDFerrous_gluconate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
caramellic
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference