Base information
| Cat. No. | |
| CAS No. | 208445-07-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14ClN5NaO6PS2 |
| Molecular Weight | 525.859 |
| Exact Mass | 524.971 |
| XLogP3 | 2.4163 |
| Mr | 113.778 |
| PSA | 189.69 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 49 |
| Ring number | 5 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1[C@@H]2O[P@](=O)([S-])OC[C@H]2O[C@H]1n1c(Sc2ccc(cc2)Cl)nc2c1nc(N)[nH]c2=O.[Na+] |
