6-Amino-1-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribofuranosyl]-3-Methyl-4-Oxo-4,5-Dihydro-1H-Imidazo[4,5-C]Pyridin-3-Ium

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Properties Simple | Detailed

Formula C12H21N4O14P3
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-3-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
Molecular Mass 538.235 g·mol−1
Heat of Formation -3378.2 ± 16.7 kJ·mol−1
Dipole Moment 10.35 ± 1.08 D
Volume 521.2 Å 3
Surface Area 387.64 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-3-ium-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-3-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-3-methyl-4-oxo-5h-imidazo[4,5-c]pyridin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-keto-3-methyl-5h-imidazo[4,5-c]pyridin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
InChIKey LPHBJZOLBGBNJF-XYHAGOFUSA-O
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