Base information
| Cat. No. | |
| CAS No. | 127634-19-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18N2Na2O14S2 |
| Molecular Weight | 572.429 |
| Exact Mass | 571.999 |
| XLogP3 | -0.3738 |
| Mr | 109.159 |
| PSA | 258.52 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 53 |
| Ring number | 2 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | O=C(ON1C(=O)CC(C1=O)S(=O)(=O)[O-])CCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-].[Na+].[Na+] |
