Base information
| Cat. No. | |
| CAS No. | 169751-10-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H24N3NaO8S3 |
| Molecular Weight | 529.583 |
| Exact Mass | 529.062 |
| XLogP3 | 2.8842 |
| Mr | 122.264 |
| PSA | 219.02 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 57 |
| Ring number | 2 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | O=C(CCSSc1ccccn1)NCCCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O.[NaH] |
