Base information
| Cat. No. | |
| CAS No. | 21087-78-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H20KNO10S2 |
| Molecular Weight | 477.548 |
| Exact Mass | 477.017 |
| XLogP3 | -0.4857 |
| Mr | 95.6894 |
| PSA | 222.85 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 49 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](S/C(=N/OS(=O)(=O)[O-])/C[C@@H](c2ccccc2)O)[C@@H]([C@H]([C@@H]1O)O)O.[K+] |