Base information
| Cat. No. | |
| CAS No. | 3810-74-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H41N7O16S |
| Molecular Weight | 679.653 |
| Exact Mass | 679.233 |
| XLogP3 | -4.541 |
| Mr | 144.653 |
| PSA | 414.41 |
| Sequence | - |
| Atom number | 86 |
| Bond number | 87 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.OC[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H]([C@H]([C@@H]3NC(=N)N)O)NC(=N)N)O[C@H]([C@]2(O)C=O)C)[C@H]([C@@H]([C@H]1O)O)NC |
