Back to Search
Iron(Ii) Gluconate
CAS: 299-29-6 | C12H22FeO14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
299-29-6
Molecular Formula:
C12H22FeO14
Molecular Mass:
446.14 g/mol
Names and Synonyms:
Iron(Ii) Gluconate
Iron, bis(D-gluconato-κO1,κO2)-
Gluconic acid, iron(2+) salt (2:1), D-
Iron gluconate
Iron, bis(D-gluconato-O1,O2)-
D-Gluconic acid, iron complex
Bis(D-gluconato-κO1,κO2)iron
Fergon
Ferlucon
Ferronicum
Ferrous gluconate
Gluco-Ferrum
Iromin
Irox
Ray-Gluciron
Nionate
Biofergate
Cerevon
Entron
Feravol
Ferox
Ferrin 55
Glucoferron
Ferro-Agepha
Glucomax
Ferroglyconicum
Gluferate
Ferrose
Ferrum Polon
Iromon
Flourish Iron
Flourish
Identifiers:
SMILES:
O=C([O-])C(O)C(O)C(O)C(O)CO.O=C([O-])C(O)C(O)C(O)C(O)CO.[Fe+2]
InChI:
InChI=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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.14 g/mol | CAS Common Chemistry |
| 446.139 g/mol | RDKit | |
| 446.03589288399985 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(II)_gluconate | CAS Common Chemistry |
| Canonical SMILES | O=C1[O-][Fe+2]2([O-]C(=O)C([OH]2)C(O)C(O)C(O)CO)[OH]C1C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=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 | CAS Common Chemistry |
| InChI Key | InChIKey=VRIVJOXICYMTAG-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Ferrous gluconate | CAS Common Chemistry |
| Iron(II) gluconate | CAS Common Chemistry | |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 14 | RDKit |
| Hydrogen Bond Donors | 10 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 282.56 Ų | RDKit |
| LogP | -9.658100000000003 | RDKit |
| Molar Refractivity | 72.24000000000002 | RDKit |
