(6R,7R)-6,7-Dihydroxy-3-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Methyl-4,7-Dihydroimidazo[1,2-A]Purin-1-Ium-3A-Id-9-One

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Properties Simple | Detailed

Formula C13H18N5O6
IUPAC Name (6r,7r)-6,7-dihydroxy-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-4,7-dihydroimidazo[1,2-a]purin-1-ium-3a-id-9-one
Molecular Mass 340.312 g·mol−1
Heat of Formation -829.7 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 362.14 Å 3
Surface Area 314.39 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
InChIKey KHWGPBJSOASGCP-NDLWPBLZSA-P
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