2-Amino-7-Methyl-9-[(4Xi)-D-Erythro-Pentofuranosyl]-7,9-Dihydro-1H-Purine-6,8-Dione

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Formula C11H16N5O6
IUPAC Name 2-amino-9-[(2s,3s,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-1h-purin-3-ium-5-ide-6,8-dione
Molecular Mass 314.275 g·mol−1
Heat of Formation -923.2 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 324.64 Å 3
Surface Area 280.84 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey HPKQEMIXSLRGJU-KHLHZJAASA-N
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