Base information
| Cat. No. | |
| CAS No. | 221910-88-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H20N2O7S3 |
| Molecular Weight | 412.502 |
| Exact Mass | 412.043 |
| XLogP3 | 2.6753 |
| Mr | 96.0288 |
| PSA | 167.57 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 46 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COCCCN1C[C@@H](O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N=C(OC)C |
