Base information
| Cat. No. | |
| CAS No. | 111810-95-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H21NO10S2 |
| Molecular Weight | 439.458 |
| Exact Mass | 439.061 |
| XLogP3 | -0.0155 |
| Mr | 98.064 |
| PSA | 209.02 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 50 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)O)/Cc2cccc(c2)OC)[C@@H]([C@H]([C@@H]1O)O)O |
