[[(2R,3S,4R,5R)-5-(6-Amino-4-Oxo-5H-Imidazo[4,5-C]Pyridin-3-Ium-6-Id-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C11H18N4O14P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-3-ium-6-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 523.200 g·mol−1
Heat of Formation -3289.4 ± 16.7 kJ·mol−1
Dipole Moment 6.98 ± 1.08 D
Volume 492.03 Å 3
Surface Area 403.73 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy -1.84 ± eV
Point Group Symmetry C1
InChIKey KXATZQGZNXDZTG-IOTUPYBNSA-O
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