Base information
| Cat. No. | |
| CAS No. | 144110-43-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H26BrClN2O7 |
| Molecular Weight | 521.787 |
| Exact Mass | 520.061 |
| XLogP3 | 0.0811 |
| Mr | 116.629 |
| PSA | 162.71 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 59 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)[C@H]1OC(Oc2c[nH]c3c2cc(Br)c(c3)Cl)[C@@H]([C@H]([C@@H]1O)O)O.[NH3+]C1CCCCC1 |
