Base information
| Cat. No. | |
| CAS No. | 1186035-28-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H27Al4N3O18 |
| Molecular Weight | 801.449 |
| Exact Mass | 801.055 |
| XLogP3 | -0.4966 |
| Mr | 151.81 |
| PSA | 403.29 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 87 |
| Ring number | 8 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)c1ccc(c(c1)N)C1=[O][Al+3]23([O-][Al+3]45([O-]1)[O]=C([O-][Al+3]([O-]4C)[O-]5C)c1ccc(cc1N)C(=O)[O-])[O]=C([O-][Al+3]([O-]2C)([O-]3C)[O-])c1ccc(cc1N)C(=O)[O-] |
