Base information
| Cat. No. | |
| CAS No. | 125455-64-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H31N3O13 |
| Molecular Weight | 545.494 |
| Exact Mass | 545.186 |
| XLogP3 | -1.8097 |
| Mr | 124.7 |
| PSA | 242.09 |
| Sequence | - |
| Atom number | 69 |
| Bond number | 71 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)NC(=O)C |
