Base information
| Cat. No. | |
| CAS No. | 50801-44-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C37H40N2O8S |
| Molecular Weight | 672.787 |
| Exact Mass | 672.251 |
| XLogP3 | 5.922 |
| Mr | 178.918 |
| PSA | 164.4 |
| Sequence | - |
| Atom number | 88 |
| Bond number | 94 |
| Ring number | 7 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O[C@H]1C[C@@]2(C)[C@H]([C@H]3[C@H]1[C@@]1(C)Cc4cnn(c4C=C1C(=C3)C)c1ccccc1)C[C@H]([C@]2(O)C(=O)COC(=O)c1cccc(c1)S(=O)(=O)O)C |
