Base information
| Cat. No. | |
| CAS No. | 3520-42-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H31N2NaO7S2 |
| Molecular Weight | 582.664 |
| Exact Mass | 582.147 |
| XLogP3 | 7.6514 |
| Mr | 150.183 |
| PSA | 147.95 |
| Sequence | - |
| Atom number | 70 |
| Bond number | 72 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | CCN(c1ccc2c(c1)[o+]c1c(c2c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)O)ccc(c1)N(CC)CC)CC.[NaH] |
