HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,2-Anhydro-6-bromogalactitol
Brepg · 1,2-anhydro-6-bromogalactitol · 1,2-Anhydro-6-brom-6-deoxydulcitol · 5,6-Anhydro-1-bromo-1-deoxyglactitol · 5,6-Anhydro-1-bromo-1-deoxygalactitol · Galactitol, 5,6-anhydro-1-bromo-1-deoxy-

Identifiers & Physical Properties
| CAS No. | 70791-26-3 |
|---|---|
| Molecular formula | C6H11BrO4 |
| Average molar mass | 227.05 g/mol |
| Monoisotopic mass | 225.98407093 g/mol |
| SMILES | O[C@H]([C@H](O)[C@@H]1CO1)[C@H](O)CBr |
| InChIKey | TTXMHDKJKIQMDJ-DPYQTVNSSA-N |
| PubChem CID | 158717 |
| DTXSID | DTXSID60991066 |
Chemical & Physical Properties
| XLogP | -1.2 |
|---|---|
| Topological polar surface area | 73.2 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 132 |
| Boiling point | 443.8±45.0 °C(Predicted) |
| Density | 1.902±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 12.95±0.20(Predicted) |