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

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Properties Simple | Detailed

Formula C27H27FN6O6
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-5-[6-(ethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Molecular Mass 550.538 g·mol−1
Heat of Formation -821.4 ± 16.7 kJ·mol−1
Dipole Moment 7.33 ± 1.08 D
Volume 614.49 Å 3
Surface Area 466.08 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey NOCNCHHJBSJZFZ-CJLJSIFTSA-N
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