Base information
| Cat. No. | |
| CAS No. | 80584-91-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H36N6O6 |
| Molecular Weight | 468.547 |
| Exact Mass | 468.27 |
| XLogP3 | 3.2613 |
| Mr | 125.165 |
| PSA | 186.66 |
| Sequence | - |
| Atom number | 69 |
| Bond number | 69 |
| Ring number | 1 |
| Rotor number | 21 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCCCCNc1nc(NCCCCCC(=O)O)nc(n1)NCCCCCC(=O)O |
