Base information
| Cat. No. | |
| CAS No. | 111566-66-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H28NO7+ |
| Molecular Weight | 382.428 |
| Exact Mass | 382.187 |
| XLogP3 | -0.4114 |
| Mr | 100.156 |
| PSA | 113.29 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@]2([C@H](OC1=O)CC3)O)C |
