6-Amino-1-(5-O-Phosphono-β-D-Ribofuranosyl)-1,5-Dihydro-4H-Imidazo[4,5-C]Pyridin-4-One

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Properties Simple | Detailed

Formula C11H16N4O8P
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]methyl dihydrogen phosphate
Molecular Mass 363.241 g·mol−1
Heat of Formation -1553.8 ± 16.7 kJ·mol−1
Dipole Moment 11.12 ± 1.08 D
Volume 362.84 Å 3
Surface Area 313.16 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-deazaguanosine-5'-phosphate
  • 3-deazaguanylic acid
  • [(2r,3s,4r,5r)-5-(6-amino-4-keto-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen 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 dihydrogen 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 dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-4-oxo-5h-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • phosphoric acid mono-[5-(6-amino-4-oxo-4,5-dihydro-imidazo[4,5-c]pyridin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester
CAS Number(s)
  • 56039-13-5
InChIKey SMOXFGDCBYPWTB-MGUDNFKCSA-N
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