Base information
| Cat. No. | |
| CAS No. | 51224-13-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H23BrN2O9S |
| Molecular Weight | 487.32 |
| Exact Mass | 486.031 |
| XLogP3 | 1.4543 |
| Mr | 102.258 |
| PSA | 189.6 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 50 |
| Ring number | 1 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OC[C@H]1O[C@@H](SC(=N)N)[C@@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C.Br |
