Base information
| Cat. No. | |
| CAS No. | 86050-77-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H38GdN4O15- |
| Molecular Weight | 744.802 |
| Exact Mass | 745.165 |
| XLogP3 | -8.2476 |
| Mr | 136.254 |
| PSA | 331.95 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 84 |
| Ring number | 7 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C1CN23[Gd+3]4567([O-]1)([O-]C(=O)CN7(CC2)CC(=O)[O-]4)[O-]C(=O)CN6(CC3)CC(=O)[O-]5.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[H+] |
