Base information
| Cat. No. | |
| CAS No. | 3952-98-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H16KNO9S2 |
| Molecular Weight | 397.464 |
| Exact Mass | 396.99 |
| XLogP3 | -1.0333 |
| Mr | 74.3736 |
| PSA | 202.62 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 38 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | C=CC/C(=N\OS(=O)(=O)[O-])/S[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O.[K+] |
