Base information
| Cat. No. | |
| CAS No. | 7647-65-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H25NO9 |
| Molecular Weight | 459.446 |
| Exact Mass | 459.153 |
| XLogP3 | -0.1399 |
| Mr | 113.48 |
| PSA | 175.83 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 61 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN([C@@H]1C(=C(C(=O)C)C(=O)[C@@]2([C@H]1[C@@H](O)[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C |
