HuagongsheHuagongshe Chemistry Print Report · For research reference only
Glutathiolactaldehyde dimethylacetal
glutathiolactaldehyde dimethylacetal

Identifiers & Physical Properties
| CAS No. | 142565-25-1 |
|---|---|
| Molecular formula | C15H27N3O9S |
| Average molar mass | 425.5 g/mol |
| Monoisotopic mass | 425.14680062 g/mol |
| SMILES | COC(OC)[C@@H](O)CSC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O |
| InChIKey | UVUSROHYPRFJQX-GUBZILKMSA-N |
| PubChem CID | 3083362 |
| DTXSID | DTXSID30162084 |
Chemical & Physical Properties
| XLogP | -4.9 |
|---|---|
| Topological polar surface area | 223 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 11 |
| Rotatable bonds | 15 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 531 |
| Boiling point | 856.227±65.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.387±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 2.214±0.10(predicted) |