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

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Properties Simple | Detailed

Formula C13H17N4O6
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-[(z)-prop-1-enyl]-3h-purin-7-ium-4-ide-2,6-dione
Molecular Mass 325.297 g·mol−1
Heat of Formation -834.3 ± 16.7 kJ·mol−1
Dipole Moment 8.24 ± 1.08 D
Volume 351.11 Å 3
Surface Area 307.48 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.59 ± eV
Point Group Symmetry C1
InChIKey JMZLBTXDHPAPSW-CANQJHSISA-P
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