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

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Properties Simple | Detailed

Formula C10H13N6O6
IUPAC Name 2-amino-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-nitro-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 313.247 g·mol−1
Heat of Formation -422.6 ± 16.7 kJ·mol−1
Dipole Moment 15.06 ± 1.08 D
Volume 317.07 Å 3
Surface Area 277.56 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.79 ± eV
Point Group Symmetry C1
InChIKey NMVOHTDGOZDXPE-VPENINKCSA-P
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