Base information
| Cat. No. | |
| CAS No. | 12706-94-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H37N5O14 |
| Molecular Weight | 583.544 |
| Exact Mass | 583.234 |
| XLogP3 | -6.6588 |
| Mr | 127.135 |
| PSA | 342.94 |
| Sequence | - |
| Atom number | 77 |
| Bond number | 79 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]([C@H]([C@@H]([C@@H]([C@H]([C@H]1O[C@H]([C@@H]([C@H]([C@@H]1N)O)O)n1ccc(nc1=O)N)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O)O)O |
