Base information
| Cat. No. | |
| CAS No. | 165660-27-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H15N2NaO11S3 |
| Molecular Weight | 578.525 |
| Exact Mass | 577.974 |
| XLogP3 | 6.9146 |
| Mr | 126.806 |
| PSA | 253.43 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 54 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(c2c(c1/N=N/c1c3ccc(cc3cc(c1O)S(=O)(=O)O)S(=O)(=O)O)cccc2)S(=O)(=O)O.[NaH] |
