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Chemistry

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Also known as: 12389-15-0, Dtxsid20924633, Iron(2+) hexonate--water (1/2/2), Ft-0626417, Ft-0626418
Molecular Formula
C12H26FeO16
Molecular Weight
482.17  g/mol
InChI Key
OKGNXSFAYMSVNN-UHFFFAOYSA-L

Ferrous Gluconate
1 2D Structure

Ferrous Gluconate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate
2.1.2 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
2.1.3 InChI Key
OKGNXSFAYMSVNN-UHFFFAOYSA-L
2.1.4 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]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 12389-15-0

2. Dtxsid20924633

3. Iron(2+) Hexonate--water (1/2/2)

4. Ft-0626417

5. Ft-0626418

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 482.17 g/mol
Molecular Formula C12H26FeO16
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count8
Exact Mass482.057020 g/mol
Monoisotopic Mass482.057020 g/mol
Topological Polar Surface Area285 Ų
Heavy Atom Count29
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5

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