Base information
| Cat. No. | |
| CAS No. | 854898-50-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H54CaF2N6O12S2 |
| Molecular Weight | 1001.14 |
| Exact Mass | 1000.28 |
| XLogP3 | 3.4624 |
| Mr | 239.042 |
| PSA | 365.1 |
| Sequence | - |
| Atom number | 121 |
| Bond number | 124 |
| Ring number | 6 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | CCN(c1nc(C(C)C)c2c(-c3ccc(cc3C(C2)[C@H](C[C@H](CC(=O)[O-])O)O)F)n1)S(=O)=O.CCN(c1nc(C(C)C)c2c(-c3ccc(cc3C(C2)[C@H](CC(CC(=O)[O-])O)O)F)n1)S(=O)=O.[Ca+2] |
