Base information
| Cat. No. | |
| CAS No. | 1316758-27-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H16BrN5O6 |
| Molecular Weight | 442.221 |
| Exact Mass | 441.028 |
| XLogP3 | -0.5218 |
| Mr | 104.981 |
| PSA | 177.26 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]([C@@H](C(=O)O)O)C(=O)O.Brc1c(ccc2c1nccn2)NC1=NCCN1 |
