Base information
| Cat. No. | |
| CAS No. | 77516-86-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H22N2O14 |
| Molecular Weight | 514.394 |
| Exact Mass | 514.107 |
| XLogP3 | 2.0113 |
| Mr | 117.18 |
| PSA | 215.3 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 59 |
| Ring number | 2 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | CC(=O)OC[C@H]1O[C@H](Oc2ccc(cc2N(=O)=O)N(=O)=O)[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C |
