HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-acetamido-4-O-(1-carboxyethyl)-2-deoxyglucose
2-acetamido-4-O-(1-carboxyethyl)-2-deoxyglucose · α-D-Glucopyranose, 2-(acetylamino)-4-O-(1-carboxyethyl)-2-deoxy-, (S)- (9CI)
Identifiers & Physical Properties
| CAS No. | 157027-59-3 |
|---|---|
| Molecular formula | C11H19NO8 |
| Average molar mass | 293.27 g/mol |
| Monoisotopic mass | 293.11106656 g/mol |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H](C)C(=O)O)[C@@H](CO)O[C@@H]1O |
| InChIKey | CPRBVTZNVRIVGJ-ZSDRWIAPSA-N |
| PubChem CID | 190862 |
| DTXSID | DTXSID30935598 |
Chemical & Physical Properties
| XLogP | -2.6 |
|---|---|
| Topological polar surface area | 146 |
| Hydrogen bond donors | 5 |
| Hydrogen bond acceptors | 8 |
| Rotatable bonds | 5 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 362 |
| Boiling point | 696.483±55.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.470±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 3.419±0.10(predicted) |