Base information
| Cat. No. | |
| CAS No. | 21087-77-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H20KNO10S2 |
| Molecular Weight | 429.506 |
| Exact Mass | 429.017 |
| XLogP3 | -1.2173 |
| Mr | 83.3058 |
| PSA | 220.02 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 44 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | C=C[C@@H](C/C(=N\OS(=O)(=O)O)/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O.[KH] |