HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Methyl-L-deoxymannojirimycin
Identifiers & Physical Properties
| CAS No. | 117821-08-6 |
|---|---|
| Molecular formula | C7H15NO4 |
| Average molar mass | 177.2 g/mol |
| Monoisotopic mass | 177.10010796 g/mol |
| SMILES | CN1C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1CO |
| InChIKey | AAKDPDFZMNYDLR-AXMZGBSTSA-N |
| PubChem CID | 452002 |
| DTXSID | DTXSID30151918 |
Chemical & Physical Properties
| XLogP | -1.9 |
|---|---|
| Topological polar surface area | 84.2 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 154 |