Base information
| Cat. No. | |
| CAS No. | 1225497-78-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H26NNaO8S |
| Molecular Weight | 475.488 |
| Exact Mass | 475.128 |
| XLogP3 | 4.0695 |
| Mr | 117.756 |
| PSA | 128.77 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 58 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COc1cc(OC)cc(c1C=CS(=O)(=O)Cc1ccc(c(c1)NCC(=O)O)OC)OC.[NaH] |
