Base information
| Cat. No. | |
| CAS No. | 120967-92-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15NO6S |
| Molecular Weight | 313.326 |
| Exact Mass | 313.062 |
| XLogP3 | -0.4004 |
| Mr | 75.2732 |
| PSA | 143.83 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H](Oc2ccc(cc2)N=C=S)[C@@H]([C@H]([C@H]1O)O)O |
