Base information
| Cat. No. | |
| CAS No. | 10116-15-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21N3O15S4 |
| Molecular Weight | 683.663 |
| Exact Mass | 682.986 |
| XLogP3 | 6.4105 |
| Mr | 146.633 |
| PSA | 323.28 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 66 |
| Ring number | 3 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1N=Nc1c(O)c2c(NC(=O)C)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O |
