Base information
| Cat. No. | |
| CAS No. | 1188522-81-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H17BrN2O8 |
| Molecular Weight | 421.197 |
| Exact Mass | 420.017 |
| XLogP3 | -0.2937 |
| Mr | 86.1737 |
| PSA | 125.92 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CO[C@@H]1[C@H](OC(=O)C)[C@H](O[C@H]1n1cc(Br)c(=O)[nH]c1=O)COC(=O)C |
