1-Allyl-9-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purin-7-Ium-4-Ide-2,6-Dione

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Formula C13H17N4O6
IUPAC Name 1-allyl-9-[(2s,3s,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-7-ium-4-ide-2,6-dione
Molecular Mass 325.297 g·mol−1
Heat of Formation -813.5 ± 16.7 kJ·mol−1
Dipole Moment 9.35 ± 1.08 D
Volume 353.34 Å 3
Surface Area 308.47 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
InChIKey CAOYQVAOVOIVTA-BMOPZLSFSA-P
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