Base information
| Cat. No. | |
| CAS No. | 127062-22-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H31N4NaO9S2 |
| Molecular Weight | 558.601 |
| Exact Mass | 558.143 |
| XLogP3 | 2.042 |
| Mr | 136.671 |
| PSA | 221.96 |
| Sequence | - |
| Atom number | 67 |
| Bond number | 68 |
| Ring number | 3 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | O=C(CCCCC1SCC2C1NC(=O)N2)NCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O.[NaH] |
