3-{2-Deoxy-5-O-[(R)-Hydroxy{[(R)-Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl]-β-D-Erythro-Pentofuranosyl}-7-Methyl-3H-Imidazo[4,5-B]Pyridine

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Properties Simple | Detailed

Formula C12H18N3O12P3
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(7-methylimidazo[4,5-b]pyridin-3-ium-3-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 489.206 g·mol−1
Heat of Formation -2952.0 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 474.77 Å 3
Surface Area 395.57 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
InChIKey LSFMZRZQGVHWHK-IVZWLZJFSA-N
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