Base information
| Cat. No. | |
| CAS No. | 123269-95-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H19NaO11 |
| Molecular Weight | 446.337 |
| Exact Mass | 446.083 |
| XLogP3 | -2.6422 |
| Mr | 96.0457 |
| PSA | 186.79 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 51 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)[C@H]([C@H]([C@H]([C@H]1OC(Oc2ccc3c(c2)oc(=O)cc3C)C(=O)C[C@H]1O)O)O)O.[Na+] |
