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

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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-7a-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 -3266.8 ± 16.7 kJ·mol−1
Dipole Moment 11.36 ± 1.08 D
Volume 492.53 Å 3
Surface Area 418.04 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
Synonyms
  • 3-deaza-gtp
  • 3-deazaguanosine triphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-keto-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CAS Number(s)
  • 103122-85-6
InChIKey FCBFMNZRZDXNQB-MGUDNFKCSA-N
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