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

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Properties Simple | Detailed

Formula C26H24N6O4+
IUPAC Name 2-amino-9-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(pyren-2-ylamino)-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 484.507 g·mol−1
Heat of Formation -160.1 ± 16.7 kJ·mol−1
Dipole Moment 11.97 ± 1.08 D
Volume 530.74 Å 3
Surface Area 450.22 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey BXIZSSXYDWHWEC-OTWHNJEPSA-P
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