Base information
| Cat. No. | |
| CAS No. | 221905-35-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16ClN5NaO5PS2 |
| Molecular Weight | 511.875 |
| Exact Mass | 510.992 |
| XLogP3 | 3.6184 |
| Mr | 113.686 |
| PSA | 208.52 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 50 |
| 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)nc2c1ncnc2N.[NaH] |
