Base information
| Cat. No. | |
| CAS No. | 847551-49-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15IN4O4 |
| Molecular Weight | 406.176 |
| Exact Mass | 406.014 |
| XLogP3 | 0.2009 |
| Mr | 82.4408 |
| PSA | 126.65 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 38 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1cc(c2c1ncnc2N)I |
