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Molecule
Zinc, bis(5-oxo-L-prolinato-κN1,κO2)-, (T-4)-
CAS: 15454-75-8 · C10H12N2O6Zn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15454-75-8
- Molecular Formula
- C10H12N2O6Zn
- Molecular Mass
- 321.60 g/mol
Identifiers
CAS Registry Number
15454-75-8
SMILES
O=C(O)C1CCC(O)=N1.O=C([O-])C1CCC([O-])=N1.[Zn+2]
InChI Key
OWVLYQRCCIEOPF-UHFFFAOYSA-L
InChI
InChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2
Names and Synonyms
- Zinc, bis(5-oxo-L-prolinato-κN1,κO2)-, (T-4)- Synonym
- Zinc Pca Synonym
- Zinc, bis(5-oxo-L-prolinato)- Synonym
- Zinc, bis(5-oxo-L-prolinato-N1,O2)-, (T-4)- Synonym
- Zinc, bis(5-oxoprolinato)- Synonym
- L-Proline, 5-oxo-, zinc complex Synonym
- (T-4)-Bis(5-oxo-L-prolinato-κN1,κO2)zinc Synonym
- Proline, 5-oxo-, zinc salt (2:1), L- Synonym
- L-Proline, 5-oxo-, zinc salt (2:1) Synonym
- Zinc L-pyroglutamate Synonym
- Zinc pidolate Synonym
- Zinc pyroglutamate Synonym
- Zincidone Synonym
- Zinc PCA Synonym
- Zinc pyrrolidonecarboxylate Synonym
- Ajidew ZN 100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 321.60 g/mol | CAS Common Chemistry |
| 321.6039999999999 g/mol | RDKit | |
| 321.604 g/mol | RDKit | |
| 325.626 g/mol | chempirical lib | |
| Canonical SMILES | O=C1[O-][Zn+2]2([O-]C(=O)C3CCC(=O)[NH]32)[NH]4C(=O)CCC14 | CAS Common Chemistry |
| InChI | InChI=1S/2C5H7NO3.Zn/c2*7-4-2-1-3(6-4)5(8)9;/h2*3H,1-2H2,(H,6,7)(H,8,9);/q;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=OWVLYQRCCIEOPF-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Zinc PCA | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 145.44 Ų | RDKit |
| LogP | -2.1550999999999982 | RDKit |
| -2.1551 | RDKit | |
| Molar Refractivity | 56.185600000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 319.998678304 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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| 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 = 321.60 g/mol. Edit any field — others recompute live.
