(1Xi)-1,4-Anhydro-1-(1,3-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)-D-Ribitol

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Formula C12H17N4O6
IUPAC Name 8-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-dimethyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 313.287 g·mol−1
Heat of Formation -934.5 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 338.21 Å 3
Surface Area 298.12 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey FMYDMYVPLRERKJ-GVYWOMJSSA-N
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