Base information
| Cat. No. | |
| CAS No. | 857402-63-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H48ClN3O8 |
| Molecular Weight | 626.181 |
| Exact Mass | 625.313 |
| XLogP3 | 6.0935 |
| Mr | 174.097 |
| PSA | 172.6 |
| Sequence | - |
| Atom number | 91 |
| Bond number | 91 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | C=CCNc1c(O)cc2c(c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)/[C@@H]([C@H](CC/C=C(/C(=O)N2)\C)OC)OC(=O)N)O.Cl |
