N-[(2R,3R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-[6-(1-Naphthylmethylamino)Purine-1,3,7-Triium-9-Yl]Tetrahydrofuran-3-Yl]-3,5-Dimethoxy-Benzamide

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Properties Simple | Detailed

Formula C30H30N6O6
IUPAC Name n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-(1-naphthylmethylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
Molecular Mass 570.596 g·mol−1
Heat of Formation -486.0 ± 16.7 kJ·mol−1
Dipole Moment 6.00 ± 1.08 D
Volume 658.99 Å 3
Surface Area 551.23 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey WYPZOWLTZVLFNJ-JVUUKAHWSA-O
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