HuagongsheHuagongshe Chemistry Print Report · For research reference only
Glutathione diethyl ester
GSH-2OEt · GSH diethyl ester · GLU(CYS-GLY-OET)-OET · H-GLU(CYS-GLY-OET)-OET · glutathionediethylester · {Ggu(OEt)}-Cys-Gly-{OEt} · Glutathione reduced diethylester · Glutathione-diethyl ester (reduced)

Identifiers & Physical Properties
| CAS No. | 97451-40-6 |
|---|---|
| Molecular formula | C14H25N3O6S |
| Average molar mass | 363.43 g/mol |
| Monoisotopic mass | 363.1464067 g/mol |
| SMILES | CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)OCC |
| InChIKey | IYXATRBAHYMOQL-UWVGGRQHSA-N |
| PubChem CID | 175702 |
| DTXSID | DTXSID80242981 |
Chemical & Physical Properties
| XLogP | -0.8 |
|---|---|
| Topological polar surface area | 138 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 13 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 446 |
| Boiling point | 593.3±50.0 °C(Predicted) |
| Density | 1.223±0.06 g/cm3(Predicted) |
| Storage conditions | -15°C |
| pKa (acidity coefficient) | 9.21±0.10(Predicted) |
| Sequence | {Ggu(OEt)}-Cys-Gly-{OEt} |
Applications & Uses
Uses
Glutathione diethyl ester is a delivery agent for glutathione monoester, and thus for glutathione, in human cells and therefore could serve to decrease oxidative stress and toxicity[1].