Uk-432,097

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Formula C40H48N11O6
IUPAC Name 6-(2,2-diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-[2-[[1-(3h-pyridin-1-ium-3-id-6-yl)-4-piperidyl]carbamoylamino]ethyl]purine-1,3,7-triium-2-carboxamide
Molecular Mass 778.879 g·mol−1
Heat of Formation -522.2 ± 16.7 kJ·mol−1
Dipole Moment 5.83 ± 1.08 D
Volume 919.85 Å 3
Surface Area 758.5 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[2,2-di(phenyl)ethylamino]-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-2-tetrahydrofuranyl]-n-[2-[[oxo-[[1-(2-pyridyl)-4-piperidinyl]amino]methyl]amino]ethyl]-2-purinecarboxamide
  • 6-[2,2-di(phenyl)ethylamino]-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-n-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
  • 6-[2,2-di(phenyl)ethylamino]-9-[(2r,3r,4s,5s)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-[2-[[1-(2-pyridyl)-4-piperidyl]carbamoylamino]ethyl]purine-2-carboxamide
InChIKey ZOTHAEBAWXWVID-HXEFRTELSA-N
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