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

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Properties Simple | Detailed

Formula C26H24N6O4+
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(pyren-1-ylamino)-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 484.507 g·mol−1
Heat of Formation -176.5 ± 16.7 kJ·mol−1
Dipole Moment 13.07 ± 1.08 D
Volume 529.98 Å 3
Surface Area 422.63 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
InChIKey QLZDBTAMPUKNOM-IPMKNSEASA-P
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