Base information
| Cat. No. | |
| CAS No. | 85959-61-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C108H116MoN8O23PW |
| Molecular Weight | 2204.89 |
| Exact Mass | 2205.65 |
| XLogP3 | 27.4436 |
| Mr | 547.268 |
| PSA | 459.86 |
| Sequence | - |
| Atom number | 258 |
| Bond number | 268 |
| Ring number | 16 |
| Rotor number | 31 |
| Residues number | 0 |
| Canonical smiles | [O-]P(=O)(OO[W](=O)(=O)[O-])[O-].[O-][Mo](=O)=O.CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C.CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C.CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C.CCNc1cc2[o+]c3cc(NCC)c(cc3c(c2cc1C)c1ccccc1C(=O)OC)C |
