Base information
| Cat. No. | |
| CAS No. | 153823-58-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H22ClNO12 |
| Molecular Weight | 503.841 |
| Exact Mass | 503.083 |
| XLogP3 | 2.2333 |
| Mr | 113.368 |
| PSA | 169.48 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 57 |
| Ring number | 2 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OC[C@H]1O[C@H](Oc2ccc(cc2Cl)[N+](=O)[O-])[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C |
