Base information
| Cat. No. | |
| CAS No. | 1336-20-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H27N2O12P |
| Molecular Weight | 542.43 |
| Exact Mass | 542.13 |
| XLogP3 | -0.4427 |
| Mr | 124.481 |
| PSA | 269.19 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 66 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OP(=O)(O)O.CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C |
