HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Deoxy-1-(methylamino)hexitol
Identifiers & Physical Properties
| CAS No. | 6284-40-8 |
|---|---|
| Molecular formula | C7H17NO5 |
| Average molar mass | 195.21 g/mol |
| Monoisotopic mass | 195.11067264 g/mol |
| SMILES | CNCC(O)C(O)C(O)C(O)CO |
| InChIKey | MBBZMMPHUWSWHV-UHFFFAOYSA-N |
| PubChem CID | 4049 |
| ChEMBL | CHEMBL333195 |
| ChEBI | CHEBI:95217 |
| DTXSID | DTXSID70859264 |
Chemical & Physical Properties
| XLogP | -2.8 |
|---|---|
| Topological polar surface area | 113 |
| Hydrogen bond donors | 6 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 134 |