(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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Properties Simple | Detailed

Formula C12H20N4O6
IUPAC Name 8-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3-dimethyl-7h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 316.310 g·mol−1
Heat of Formation -936.1 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 336.61 Å 3
Surface Area 294.63 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.25 ± eV
Point Group Symmetry C1
InChIKey FMYDMYVPLRERKJ-XVFCMESISA-N
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