3-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-6,7-Dihydroxy-6-Methyl-3,4,6,7-Tetrahydro-9H-Imidazo[1,2-A]Purin-9-One

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Formula C13H17N5O6
IUPAC Name (6s,7s)-6,7-dihydroxy-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-5,7-dihydroimidazo[1,2-a]purine-1,4-diium-9-one
Molecular Mass 339.304 g·mol−1
Heat of Formation -886.0 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 361.58 Å 3
Surface Area 306.86 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey FGUOIKXAPPJNLE-NDLWPBLZSA-N
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