N-{(2E)-3-[(2R,3S,4R,5R)-3,4-Dihydroxy-5-{6-[(2-Hydroxyethyl)Amino]-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 C27H27FN6O7
IUPAC Name n-[(e)-3-[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(2-hydroxyethylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]allyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide
Molecular Mass 566.538 g·mol−1
Heat of Formation -970.4 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 624.04 Å 3
Surface Area 475.69 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey HBNVZKRROMJMCF-RBUFWCAOSA-N
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