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Molecule
Ferric Sodium Edta
CAS: 15708-41-5 · C10H12FeN2NaO8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15708-41-5
- Molecular Formula
- C10H12FeN2NaO8
- Molecular Mass
- 367.05 g/mol
Identifiers
CAS Registry Number
15708-41-5
SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]
InChI Key
MKWYFZFMAMBPQK-UHFFFAOYSA-J
InChI
InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4
Names and Synonyms
- Ferric Sodium Edta Synonym
- Sodium feredetate Synonym
- Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:1), (OC-6-21)- Synonym
- Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium Synonym
- Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, sodium, (OC-6-21)- Synonym
- Sodium [(ethylenedinitrilo)tetraacetato]ferrate(III) Synonym
- Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, (OC-6-21)- Synonym
- Ferisan Synonym
- Sodium ferric EDTA Synonym
- Sodium iron(III) ethylenediaminetetraacetate Synonym
- Iron sodium ethylenediaminetetraacetate Synonym
- Ferric sodium ethylenediaminetetraacetate Synonym
- Edathamil monosodium ferric salt Synonym
- Monosodium ferric EDTA Synonym
- Sytron Synonym
- Ferric sodium edetate Synonym
- Sodium ferric ethylenediaminetetraacetate Synonym
- Sodium iron EDTA Synonym
- Iron sodium ethylenediaminetetraacetate (1:1:1) Synonym
- Sodium (N,N,N′,N′-ethylenediaminetetraacetato)ferrate(1-) Synonym
- Ferric sodium EDTA Synonym
- Iron monosodium EDTA Synonym
- Sodium (ethylenediaminetetraacetato)ferrate(1-) Synonym
- Sequestrene NaFe Synonym
- AL 3037A Synonym
- Ferrostrene Synonym
- Ferrostrane Synonym
- Sybron Synonym
- NSC 5237 Synonym
- Ferrazone Synonym
- Ethylenediaminetetraacetic acid ferric monosodium salt Synonym
- Fe-EDTA Synonym
- Ferroxx Synonym
- Iron sodium EDTA Synonym
- EDTA iron (III) sodium salt Synonym
- EDTA iron sodium Synonym
- EDTA iron sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 367.05 g/mol | CAS Common Chemistry |
| 367.047 g/mol | RDKit | |
| 374.103 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ferric_sodium_EDTA | CAS Common Chemistry |
| Canonical SMILES | [Na+].O=C1[O-][Fe+3]2345[O-]C(=O)C[N]5(C1)CC[N]4(CC(=O)[O-]2)CC(=O)[O-]3 | CAS Common Chemistry |
| InChI | InChI=1S/C10H16N2O8.Fe.Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+3;+1/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=MKWYFZFMAMBPQK-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Sodium ferric EDTA | CAS Common Chemistry |
| Ferric sodium EDTA | CAS Common Chemistry | |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 10 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 167.0 Ų | RDKit |
| LogP | -10.408500000000007 | RDKit |
| -10.4085 | RDKit | |
| Molar Refractivity | 52.90800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 366.98407212399997 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 |
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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 = 367.05 g/mol. Edit any field — others recompute live.
