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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
Names and Synonyms:
Ferric Sodium Edta
Sodium feredetate
Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:1), (OC-6-21)-
Ferrate(1-), [(ethylenedinitrilo)tetraacetato]-, sodium
Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, sodium, (OC-6-21)-
Sodium [(ethylenedinitrilo)tetraacetato]ferrate(III)
Ferrate(1-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, (OC-6-21)-
Ferisan
Sodium ferric EDTA
Sodium iron(III) ethylenediaminetetraacetate
Iron sodium ethylenediaminetetraacetate
Ferric sodium ethylenediaminetetraacetate
Edathamil monosodium ferric salt
Monosodium ferric EDTA
Sytron
Ferric sodium edetate
Sodium ferric ethylenediaminetetraacetate
Sodium iron EDTA
Iron sodium ethylenediaminetetraacetate (1:1:1)
Sodium (N,N,N′,N′-ethylenediaminetetraacetato)ferrate(1-)
Ferric sodium EDTA
Iron monosodium EDTA
Sodium (ethylenediaminetetraacetato)ferrate(1-)
Sequestrene NaFe
AL 3037A
Ferrostrene
Ferrostrane
Sybron
NSC 5237
Ferrazone
Ethylenediaminetetraacetic acid ferric monosodium salt
Fe-EDTA
Ferroxx
Iron sodium EDTA
EDTA iron (III) sodium salt
EDTA iron sodium
EDTA iron sodium salt
Identifiers:
SMILES:
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Fe+3].[Na+]
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
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 | 367.05 g/mol | CAS Common Chemistry |
| 367.047 g/mol | RDKit | |
| 366.98407212399997 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 52.90800000000002 | RDKit |
