N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-Methyl-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 C26H24FN5O6
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-methylpurine-1,3,7-triium-9-yl)tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Molecular Mass 521.497 g·mol−1
Heat of Formation -780.7 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 583.72 Å 3
Surface Area 414.28 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey HPSAAEAALHAMSZ-ORAYEHMWSA-N
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