2,8-Diamino-9-[(2R,3R,4R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-1,7-Diium-4-Id-6-One

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Formula C10H16N6O5+
IUPAC Name 2,8-diamino-9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 300.271 g·mol−1
Heat of Formation -607.4 ± 16.7 kJ·mol−1
Dipole Moment 11.03 ± 1.08 D
Volume 315.06 Å 3
Surface Area 275.92 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey KYEJAAZWBIKCMD-SAFLGMAISA-P
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