FERROUS GLUCONATE

Relevant Data

Food Additives Approved by WHO:

FERROUS GLUCONATE [show]

Food Additives Approved by European Union:

Ferrous gluconate [show]

General Information

Mainterm	FERROUS GLUCONATE
Doc Type	ASP
CAS Reg.No.(or other ID)	6047-12-7
Regnum	182.80 184.1308 73.160

From www.fda.gov

Computed Descriptors

2D Structure
CID	198008
IUPAC Name	iron(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;dihydrate
InChI	InChI=1S/2C6H12O7.Fe.2H2O/c27-1-2(8)3(9)4(10)5(11)6(12)13;;;/h22-5,7-11H,1H2,(H,12,13);;21H2/q;;+2;;/p-2/t22-,3-,4+,5-;;;/m11.../s1
InChI Key	OKGNXSFAYMSVNN-SYAJEJNSSA-L
Canonical SMILES	C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.O.[Fe+2]
Molecular Formula	C12H22FeO14·2H2O
Wikipedia	ferrous gluconate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	482.169
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Complexity	165.0
CACTVS Substructure Key Fingerprint	A A A D c e B w P g A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A C A A A C B S g g A I A C A A A A g A I A A C Q C A I A A A A A A A A A A A F A A A A B E B Y A A A A A Q A A F I A A B A A H K b A R A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	285.0
Monoisotopic Mass	482.057
Exact Mass	482.057
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	29
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	5

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Sugar acids and derivatives
Alternative Parents	Beta hydroxy acids and derivatives Medium-chain hydroxy acids and derivatives Organic transition metal salts Organic oxides Monocarboxylic acids and derivatives Carbonyl compounds Hydroxy fatty acids Primary alcohols Hydrocarbon derivatives Monosaccharides Organic zwitterions Polyols Medium-chain fatty acids Carboxylic acids Secondary alcohols Carboxylic acid salts
Molecular Framework	Not available
Substituents	Gluconic_acid - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Hydroxy fatty acid - Hydroxy 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 - Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Carbonyl group - Primary alcohol - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.

From ClassyFire