Base information
| Cat. No. | |
| CAS No. | 6183-68-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H40N2O13S |
| Molecular Weight | 548.602 |
| Exact Mass | 548.225 |
| XLogP3 | 3.089 |
| Mr | 135.291 |
| PSA | 193.18 |
| Sequence | - |
| Atom number | 76 |
| Bond number | 71 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O.O.O.O.O.O.O.O |
