Base information
| Cat. No. | |
| CAS No. | 679787-07-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H31N2NaO9S2 |
| Molecular Weight | 530.588 |
| Exact Mass | 530.137 |
| XLogP3 | 3.6474 |
| Mr | 127.204 |
| PSA | 199.25 |
| Sequence | - |
| Atom number | 65 |
| Bond number | 64 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OC(CS(=O)(=O)O)CNc1ccc(cc1C)c1ccc(c(c1)C)NCC(CS(=O)(=O)O)O.[NaH].O |
