Base information
| Cat. No. | |
| CAS No. | 1251827-55-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H17IN2O7 |
| Molecular Weight | 428.177 |
| Exact Mass | 428.008 |
| XLogP3 | -1.5766 |
| Mr | 82.4153 |
| PSA | 123.01 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COCCO[C@@H]1[C@H](O)[C@H](O[C@H]1n1cc(I)c(=O)[nH]c1=O)CO |
