5-Ethynyl-1-(5-O-Phosphono-β-D-Ribofuranosyl)-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C11H14N3O8P
IUPAC Name [(2r,3s,4r,5r)-5-(4-carbamoyl-5-ethynyl-imidazol-1-ium-5-ylium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 347.218 g·mol−1
Heat of Formation -1377.4 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 276.42 Å 3
Surface Area 265.85 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethynyl-1-(5-o-phosphonoribofuranosyl)imidazole-4-carboxamide
  • 5-ethynyl-1-beta-d-ribofuranosylimidazole-4-carboxamide 5'-monophosphate
  • [(2r,3s,4r,5r)-5-(4-aminocarbonyl-5-ethynyl-imidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-carbamoyl-5-ethynyl-1-imidazolyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-carbamoyl-5-ethynyl-imidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-carbamoyl-5-ethynylimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • eicarmp
  • imidazole-4-carboxamide, 5-ethynyl-1-beta-d-ribofuranosyl, 5'-monophosphate
CAS Number(s)
  • 126004-36-2
InChIKey QXUDJLUJMGCCEK-PNHWDRBUSA-N
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