Base information
| Cat. No. | |
| CAS No. | 135743-28-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H24ClNO13 |
| Molecular Weight | 497.835 |
| Exact Mass | 497.094 |
| XLogP3 | -2.2257 |
| Mr | 106.803 |
| PSA | 224.35 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 59 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2ccc(cc2Cl)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O)O |