Base information
| Cat. No. | |
| CAS No. | 1230-27-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15NO7S |
| Molecular Weight | 317.315 |
| Exact Mass | 317.057 |
| XLogP3 | 0.01 |
| Mr | 74.6382 |
| PSA | 161.27 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Sc2ccc(cc2)[N+](=O)[O-])[C@@H]([C@H]([C@H]1O)O)O |
