Base information
| Cat. No. | |
| CAS No. | 139609-20-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N5NaO10S3 |
| Molecular Weight | 623.612 |
| Exact Mass | 623.043 |
| XLogP3 | 2.92176 |
| Mr | 142.237 |
| PSA | 286.09 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 63 |
| Ring number | 3 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | [N-]=[N+]=Nc1ccc2c(c1)oc(=O)c(c2C)CC(=O)NCCSSCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)O.[NaH] |
