Ferrous Gluconate Dihydrate

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CAS Number

12389-15-0

Synonyms

Iron (2+) ;2,3,4,5,6-pentahydroxyhexanoate; dihydrate

Purity

98%

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]

Chemical Information

Iron(2+);2,3,4,5,6-pentahydroxyhexanoate;dihydrate

CAS Number	12389-15-0
PubChem CID	71372
IUPAC Name	iron(2+);bis(2,3,4,5,6-pentahydroxyhexanoate);dihydrate
Molecular Formula	C12H26FeO16
Molecular Weight	482.17
Topological Polar Surface Area	285
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	165

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]

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

InChIKey

OKGNXSFAYMSVNN-UHFFFAOYSA-L

Chemical Structure

2D Structure

CAS: 12389-15-0

CID: 71372

Formula: C12H26FeO16

MW: 482.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	482.17
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	8
Exact Mass	482.057020
Monoisotopic Mass	482.057020
Topological Polar Surface Area	285 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	165
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

Catalog	Name
IN10464-01	Ferrous Gluconate
IN10489-01	Iron (II) D-Gluconate Dihydrate
BIP0689-01	D-Gluconate 6-phosphate trisodium salt dihydrate
OR18593-01	Calcium bis (4-O-beta-D-galactopyranosyl-D-gluconate) dihydrate
BUP19869	Gluconate sodium
BUP19860	Gluconate Calcium
IN10517-01	Magnesium gluconate
BUP19903-01	Potassium gluconate
OR1014821-01	Potassium gluconate
IN10463-01	Ferrous Fumarate

Catalog	Name
FF14520-01	Ferrous gluconate dihydrate
HY-W698249-01	Ferrous gluconate
HY-W698249R	Ferrous gluconate (Standard)
093595	Ferrous Gluconate for Synthesis
F01180	Ferrous gluconate 98%
I9030-01	Ferrous oxalate dihydrate
G9070-01	Iron D-gluconate dihydrate
M00350-01	Magnesium gluconate dihydrate 98%
F01230-01	Ferrous oxalate dihydrate 98%
TSH-00447-01	Iron (II) D-gluconate dihydrate