Base information
| Cat. No. | |
| CAS No. | 6700-39-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H40N2O12S |
| Molecular Weight | 556.624 |
| Exact Mass | 556.23 |
| XLogP3 | 3.3396 |
| Mr | 137.608 |
| PSA | 246.88 |
| Sequence | - |
| Atom number | 77 |
| Bond number | 74 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)O.CC(NCC(c1ccc(c(c1)O)O)O)C.CC(NCC(c1ccc(c(c1)O)O)O)C.O.O |
