2-Amino-8-[4-(4-Aminophenyl)Phenyl]-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-1,7-Diium-4-Id-6-One

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Properties Simple | Detailed

Formula C22H23N6O4
IUPAC Name 2-amino-8-[4-(4-aminophenyl)phenyl]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 435.456 g·mol−1
Heat of Formation -279.2 ± 16.7 kJ·mol−1
Dipole Moment 13.98 ± 1.08 D
Volume 486.35 Å 3
Surface Area 412.34 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
InChIKey HFYAHHJIAYUHPO-GVDBMIGSSA-P
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