Base information
| Cat. No. | |
| CAS No. | 5328-51-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H20N2O7S |
| Molecular Weight | 348.372 |
| Exact Mass | 348.099 |
| XLogP3 | -0.8333 |
| Mr | 80.8327 |
| PSA | 168.06 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 43 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]([C@H]([C@@H]([C@H](C=NNS(=O)(=O)c1ccc(cc1)C)O)O)O)O |
