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Molecule
Zinc L-Aspartate
CAS: 36393-20-1 · C8H12N2O8Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 36393-20-1
- Molecular Formula
- C8H12N2O8Zn
- Molecular Mass
- 329.58 g/mol
Identifiers
CAS Registry Number
36393-20-1
SMILES
N[C@@H](CC(=O)O)C(=O)O.N[C@@H](CC(=O)[O-])C(=O)[O-].[Zn+2]
InChI Key
POEVDIARYKIEGF-CEOVSRFSSA-L
InChI
InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
Names and Synonyms
- Zinc L-Aspartate Common Name
- Zincate(2-), bis[L-aspartato(2-)-κN,κO1]-, hydrogen (1:2), (T-4)- Synonym
- Zincate(2-), bis[L-aspartato(2-)-N,O1]-, dihydrogen, (T-4)- Synonym
- Zincate(2-), bis[L-aspartato(2-)-κN,κO1]-, dihydrogen, (T-4)- Synonym
- L-Aspartic acid, zinc complex Synonym
- Zinc aspartate Synonym
- Oksirich Synonym
- Unizink 50 Synonym
- Zincas Forte Synonym
- Zinc hydroaspartate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 329.58 g/mol | CAS Common Chemistry |
| 329.5799999999999 g/mol | RDKit | |
| 333.602 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Zinc_L-aspartate | CAS Common Chemistry |
| Canonical SMILES | [H+].O=C([O-])CC1C(=O)[O-][Zn+2]2([O-]C(=O)C(CC(=O)[O-])[NH2]2)[NH2]1 | CAS Common Chemistry |
| InChI | InChI=1S/2C4H7NO4.Zn/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=POEVDIARYKIEGF-CEOVSRFSSA-L | CAS Common Chemistry |
| Name | Zinc aspartate | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 206.9 Ų | RDKit |
| LogP | -4.925899999999998 | RDKit |
| -4.9259 | RDKit | |
| Molar Refractivity | 50.4704 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 327.988507544 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| 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 = 329.58 g/mol. Edit any field — others recompute live.
