Base information
| Cat. No. | |
| CAS No. | 6906-38-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21ClO12 |
| Molecular Weight | 500.837 |
| Exact Mass | 500.072 |
| XLogP3 | -2.9084 |
| Mr | 116.17 |
| PSA | 213.67 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@@H](Oc2cc3c(O)cc(cc3[o+]c2c2cc(O)c(c(c2)O)O)O)[C@@H]([C@H]([C@@H]1O)O)O.[Cl-] |
