Base information
| Cat. No. | |
| CAS No. | 81069-02-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H16N2O14S4 |
| Molecular Weight | 564.542 |
| Exact Mass | 563.948 |
| XLogP3 | 0.1324 |
| Mr | 118.43 |
| PSA | 303.46 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 51 |
| Ring number | 2 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | O=C(ON1C(=O)CC(C1=O)S(=O)(=O)O)CCSSCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O |
