Base information
| Cat. No. | |
| CAS No. | 2580-78-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H19N2NaO11S3 |
| Molecular Weight | 606.578 |
| Exact Mass | 606.005 |
| XLogP3 | 5.6367 |
| Mr | 134.19 |
| PSA | 249.44 |
| Sequence | - |
| Atom number | 58 |
| Bond number | 60 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Nc1c2C(=O)c3ccccc3C(=O)c2c(cc1S(=O)(=O)O)Nc1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O.[NaH] |
