Base information
| Cat. No. | |
| CAS No. | 1015167-40-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C31H33N7O9 |
| Molecular Weight | 647.635 |
| Exact Mass | 647.234 |
| XLogP3 | 1.2098 |
| Mr | 166.932 |
| PSA | 246.44 |
| Sequence | - |
| Atom number | 80 |
| Bond number | 84 |
| Ring number | 5 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | O=C(O[C@@H]1OC(C(=O)O)[C@H](C(C1O)O)O)CCN(C(=O)c1ccc2c(c1)nc(n2C)CNc1ccc(cc1)C(=N)N)c1ccccn1 |
