Base information
| Cat. No. | |
| CAS No. | 129541-41-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H14BrClNNaO7 |
| Molecular Weight | 446.61 |
| Exact Mass | 444.954 |
| XLogP3 | 0.9673 |
| Mr | 86.8759 |
| PSA | 132.24 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H]1O[C@@H](Oc2c[nH]c3c2c(Cl)c(cc3)Br)[C@@H]([C@H]([C@@H]1O)O)O.[NaH] |
