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Molecule
Disodium Zinc Edta
CAS: 39208-16-7 · C10H12N2Na2O8Zn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 39208-16-7
- Molecular Formula
- C10H12N2Na2O8Zn
- Molecular Mass
- 399.58 g/mol
Identifiers
CAS Registry Number
39208-16-7
SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Zn+2]
InChI Key
UBLOJEHIINPTTG-UHFFFAOYSA-J
InChI
InChI=1S/C10H16N2O8.2Na.Zn/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;2*+1;+2/p-4
Names and Synonyms
- Disodium Zinc Edta Synonym
- Zincate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium (1:2), (OC-6-21)- Synonym
- Zincate(2-), [(ethylenedinitrilo)tetraacetato]-, disodium Synonym
- Zincate(2-), [[N,N′-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N′,O,O′,ON,ON′]-, disodium, (OC-6-21)- Synonym
- Sodium [(ethylenedinitrilo)tetraacetato]zincate Synonym
- Zincate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, disodium, (OC-6-21)- Synonym
- Zinc disodium EDTA Synonym
- Zinc disodium ethylenediaminetetraacetate Synonym
- EDTA disodium zinc salt Synonym
- Disodium zinc EDTA Synonym
- Sequestrene NA 2ZN Synonym
- Zinc disodium ethylenedinitrilotetraacetate Synonym
- Disodium zinc ethylenediaminetetraacetate Synonym
- EDTA zinc disodium salt Synonym
- Disodium (ethylenediaminetetraacetato)zincate(2-) Synonym
- Dissolvine E-Zn 15 Synonym
- Chelest Zn 40 Synonym
- Sodium zinc edetate Synonym
- sodium zinc EDTA, Synonym
- EDTA zinc sodium salt Synonym
- EDTA disodium zinc Synonym
- zinc EDTA disodium salt Synonym
- Disodium EDTA zinc Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 399.58 g/mol | CAS Common Chemistry |
| 399.582 g/mol | RDKit | |
| 407.636 g/mol | chempirical lib | |
| Canonical SMILES | [Na+].O=C1[O-][Zn+2]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/C10H16N2O8.2Na.Zn/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;2*+1;+2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=UBLOJEHIINPTTG-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Disodium zinc EDTA | CAS Common Chemistry |
| Heavy Atom Count | 23 | 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 | -13.404500000000008 | RDKit |
| -13.4045 | RDKit | |
| Molar Refractivity | 52.90800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 397.968046104 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
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.
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MW = 399.58 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H12N2Na2O8Zn.
