Base information
| Cat. No. | |
| CAS No. | 847180-48-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C43H46N2O14S4 |
| Molecular Weight | 943.09 |
| Exact Mass | 942.183 |
| XLogP3 | 11.3756 |
| Mr | 245.972 |
| PSA | 297.38 |
| Sequence | - |
| Atom number | 109 |
| Bond number | 114 |
| Ring number | 6 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | CC[N+]1=C(C=CC=CC=CC=C2N(CCCCCC(=O)O)c3c(C2(C)C)c2cc(cc(c2cc3)S(=O)(=O)O)S(=O)(=O)O)C(c2c1ccc1c2cc(cc1S(=O)(=O)[O-])S(=O)(=O)O)(C)C |
