Formula | C34H36N2O9 |
MW | 616.67 |
bulk_in | / |
comment | nan |
inchikey | XDSQMTKDWRZABX-SJHOIFEDSA-N |
literature | UNKNOWN |
location | FKKT-HLAD_1 |
mass | 45,0 |
nmr_code | OK21545 |
rack_code | NU00246861 |
rack_number | 1 |
rack_position | 1A8 |
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(OCC3=CC=CC=C3)C=C2)C1=O |
vial_code | NUJD034325 |
vial_size | 1_mL |
mw | 616.6576 |
alogp | 5.9778 |
hba | 7 |
hbd | 0 |
rb | 14 |
heavyatomcount | 45 |
chiralcentercount | 2 |
chiralcentercountallpossible | 2 |
ringcount | 4 |
psa | 134.51 |
estate | 114.336 |
mr | 165.5395 |
polar | 73.643 |
canvasuid | 8 |