Base information
| Cat. No. | |
| CAS No. | 2227382-74-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C52H80B2N2O6 |
| Molecular Weight | 850.823 |
| Exact Mass | 850.62 |
| XLogP3 | 11.5726 |
| Mr | 270.974 |
| PSA | 77.54 |
| Sequence | - |
| Atom number | 142 |
| Bond number | 147 |
| Ring number | 6 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | CCCCCCC(CN1C(=O)/C(=C/2\c3ccc(cc3N(C2=O)CC(CCCCCC)CCCC)B2OC(C(O2)(C)C)(C)C)/c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)CCCC |
