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

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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 -834.8 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 573.89 Å 3
Surface Area 446.51 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
InChIKey WSOJPHJQKRXYPO-ORAYEHMWSA-O
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