Base information
| Cat. No. | |
| CAS No. | 185246-32-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H14BrN5NaO6PS |
| Molecular Weight | 562.266 |
| Exact Mass | 560.948 |
| XLogP3 | 2.1305 |
| Mr | 117.89 |
| PSA | 142.78 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 51 |
| Ring number | 6 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1[C@@H]2O[P@](=O)([S-])OC[C@H]2O[C@H]1n1c(Br)nc2c1[nH]c1nc(cn1c2=O)c1ccccc1.[Na+] |
