Base information
| Cat. No. | |
| CAS No. | 18837-96-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H46BaN10O16P2 |
| Molecular Weight | 1074.08 |
| Exact Mass | 1074.16 |
| XLogP3 | 4.5032 |
| Mr | 215.942 |
| PSA | 325.6 |
| Sequence | - |
| Atom number | 111 |
| Bond number | 118 |
| Ring number | 8 |
| Rotor number | 20 |
| Residues number | 0 |
| Canonical smiles | CCCC(=O)O[C@@H]1[C@@H]2OP(=O)(O[Ba]OP3(=O)OC[C@@H]4[C@@H](O3)[C@@H](OC(=O)CCC)[C@@H](O4)n3cnc4c3ncnc4NC(=O)CCC)OC[C@H]2O[C@H]1n1cnc2c1ncnc2NC(=O)CCC |
