Base information
| Cat. No. | |
| CAS No. | 127000-20-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C29H46GdN4O16- |
| Molecular Weight | 864.951 |
| Exact Mass | 865.223 |
| XLogP3 | -6.6622 |
| Mr | 171.44 |
| PSA | 341.18 |
| Sequence | - |
| Atom number | 97 |
| Bond number | 102 |
| Ring number | 8 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | O=C1[O-][Gd+3]234567N(C1)(CCN6(CC(=O)[O-]3)CC(=O)[O-]2)CCN7(CC(=O)[O-]4)C(C(=O)[O-]5)COCc1ccccc1.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.[H+] |
