Base information
| Cat. No. | |
| CAS No. | 83999-94-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H21N5O8 |
| Molecular Weight | 543.484 |
| Exact Mass | 543.139 |
| XLogP3 | 5.6604 |
| Mr | 144.424 |
| PSA | 185.09 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 65 |
| Ring number | 5 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@H](C(=O)O)Cc1ncn(c1)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCC1c2ccccc2-c2c1cccc2 |
