Base information
| Cat. No. | |
| CAS No. | 125110-14-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N5O8S2 |
| Molecular Weight | 471.465 |
| Exact Mass | 471.052 |
| XLogP3 | 0.3009 |
| Mr | 112.958 |
| PSA | 247.28 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C=C.O |
