| Formula | C27H29N3O10 |
| MW | 555.54 |
| bulk_in | / |
| comment | nan |
| inchikey | RHQSQOWNYIGRIW-UHFFFAOYSA-N |
| literature | UNKNOWN |
| location | FKKT-HLAD_1 |
| mass | 15,0 |
| nmr_code | NO_NMR_DATA |
| rack_code | NU00246861 |
| rack_number | 1 |
| rack_position | 1B3 |
| 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(C=C2)[N+]([O-])=O)(C(C[N+]([O-])=O)C2=CC=C(OC)C=C2)C1=O |
| vial_code | NUJD034246 |
| vial_size | 1_mL |
| mw | 555.5333 |
| alogp | 4.3051 |
| hba | 6 |
| hbd | 0 |
| rb | 12 |
| heavyatomcount | 40 |
| chiralcentercount | 0 |
| chiralcentercountallpossible | 2 |
| ringcount | 3 |
| psa | 168.42 |
| estate | 113.669 |
| mr | 141.7884 |
| polar | 59.793 |
| canvasuid | 15 |