N-[(2E)-3-{(2R,3S,4R,5R)-3,4-Dihydroxy-5-[6-(Methylamino)-9H-Purin-9-Yl]Tetrahydro-2-Furanyl}-2-Propen-1-Yl]-4'-Fluoro-4,5-Dihydroxy-3-Biphenylcarboxamide

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Properties Simple | Detailed

Formula C26H25FN6O6
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(methylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Molecular Mass 536.512 g·mol−1
Heat of Formation -771.9 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 602.37 Å 3
Surface Area 464.37 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey NSQDVYXOGVOLPV-WKWRZTKWSA-N
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Elements H C N O F