FERROUS GLUCONATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Synonyms: | IRON GLUCONATE |
| Chemical Names: | FERROUS GLUCONATE; IRON (II) DI-D-GLUCONATE DIHYDRATE |
| CAS number: | 6047-12-7 |
| INS: | 579 |
| Functional Class: |
Food Additives COLOUR_RETENTION_AGENT NUTRIENT_SUPPLEMENT |
From apps.who.int
Evaluations
| Evaluation year: | 1987 |
| Meeting: | 31 |
| Specs Code: | S |
| Comments: | Group PMTDI for iron, expressed as Fe |
| Report: | TRS 759-JECFA 31/29 |
| Tox Monograph: | FAS 8/NMRS 55A-JECFA 19/26 (1975) |
| Specification: | COMPENDIUM ADDENDUM 7/FNP 52 Add.7/37 (1999). R; FAO JECFA Monographs 1 vol.2/61 |
From apps.who.int
GSFA Provisions for FERROUS GLUCONATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 04.2.2.3 | Vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), and seaweeds in vinegar, oil, brine, or soybean sauce |
150 mg/kg | Note 23,Note 48 |
From www.fao.org
Computed Descriptors
Download SDF| 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/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 |
| 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 |
|
| 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