| Formula | C27H29BrN2O8 |
| MW | 589.44 |
| bulk_in | / |
| comment | nan |
| inchikey | MJANPWWCKBWZIL-AMGIVPHBSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 88,0 |
| nmr_code | OK21507 |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1A5 |
| reasearcher | A._IVANCIC |
| research_group | SVETE |
| sample_state | TRUE_SAMPLE |
| smiles | COC(=O)C1=CN(C(=O)OC(C)(C)C)[C@@](CC2=CC=C(OC)C=C2)([C@H](C[N+]([O-])=O)C2=CC=C(Br)C=C2)C1=O |
| vial_code | NUJD034723 |
| vial_size | 1_mL |
| mw | 589.4318 |
| alogp | 5.1591 |
| hba | 6 |
| hbd | 0 |
| rb | 11 |
| heavyatomcount | 38 |
| chiralcentercount | 2 |
| chiralcentercountallpossible | 2 |
| ringcount | 3 |
| psa | 125.28 |
| estate | 100.419 |
| mr | 142.0865 |
| polar | 60.873 |
| canvasuid | 5 |