Base information
| Cat. No. | |
| CAS No. | 1390-65-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H15AlCaO13 |
| Molecular Weight | 554.406 |
| Exact Mass | 553.995 |
| XLogP3 | -0.776 |
| Mr | 102.881 |
| PSA | 256.66 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c([O-])c2c(c(c1[O-])[O-])C(=O)c1c(C2=O)c(C)c(c(c1)[O-])C(=O)[O-].[Al+3].[Ca+2] |
