Base information
| Cat. No. | |
| CAS No. | 5135-30-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H19N5O6S |
| Molecular Weight | 421.428 |
| Exact Mass | 421.106 |
| XLogP3 | 1.4036 |
| Mr | 100.178 |
| PSA | 171.06 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 51 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O[C@@H]1[C@@H](COS(=O)(=O)c2ccc(cc2)C)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N |
