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Molecule
Iron(Ii) Gluconate
CAS: 299-29-6 · C12H22FeO14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 299-29-6
- Molecular Formula
- C12H22FeO14
- Molecular Mass
- 446.14 g/mol
Identifiers
CAS Registry Number
299-29-6
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 Key
VRIVJOXICYMTAG-UHFFFAOYSA-L
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
Names and Synonyms
- Iron(Ii) Gluconate Synonym
- Iron, bis(D-gluconato-κO1,κO2)- Synonym
- Gluconic acid, iron(2+) salt (2:1), D- Synonym
- Iron gluconate Synonym
- Iron, bis(D-gluconato-O1,O2)- Synonym
- D-Gluconic acid, iron complex Synonym
- Bis(D-gluconato-κO1,κO2)iron Synonym
- Fergon Synonym
- Ferlucon Synonym
- Ferronicum Synonym
- Ferrous gluconate Synonym
- Gluco-Ferrum Synonym
- Iromin Synonym
- Irox Synonym
- Ray-Gluciron Synonym
- Nionate Synonym
- Biofergate Synonym
- Cerevon Synonym
- Entron Synonym
- Feravol Synonym
- Ferox Synonym
- Ferrin 55 Synonym
- Glucoferron Synonym
- Ferro-Agepha Synonym
- Glucomax Synonym
- Ferroglyconicum Synonym
- Gluferate Synonym
- Ferrose Synonym
- Ferrum Polon Synonym
- Iromon Synonym
- Flourish Iron Synonym
- Flourish Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.14 g/mol | CAS Common Chemistry |
| 446.139 g/mol | RDKit | |
| 450.171 g/mol | chempirical lib | |
| 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 |
| 254.9 Ų | chempirical lib | |
| LogP | -9.658100000000003 | RDKit |
| -9.6581 | RDKit | |
| Molar Refractivity | 72.24000000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 446.03589288399985 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 446.14 g/mol. Edit any field — others recompute live.
