FKKTLib v2021: details for selected entry

AI_63 (7)
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FormulaC27H30N2O8
MW510.54
bulk_in/
commentnan
inchikeyMONVIWRZRAVIEU-AMGIVPHBSA-N
literatureUNKNOWN
locationFKKT-HLAD_1
mass259,0
nmr_codeOK22962
rack_codeNU00246861
rack_number1
rack_position1A7
reasearcherA._IVANCIC
research_groupSVETE
sample_stateTRUE_SAMPLE
smilesCOC(=O)C1=CN(C(=O)OC(C)(C)C)[C@@](CC2=CC=C(OC)C=C2)([C@H](C[N+]([O-])=O)C2=CC=CC=C2)C1=O
vial_codeNUJD034662
vial_size1_mL
mw510.5357
alogp4.4107
hba6
hbd0
rb11
heavyatomcount37
chiralcentercount2
chiralcentercountallpossible2
ringcount3
psa125.28
estate98.002
mr134.4637
polar58.247
canvasuid7