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

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Properties Simple | Detailed

Formula C9H14N3O9P
IUPAC Name [(2r,3s,4r,5r)-5-(4-carbamoyl-5-hydroxy-imidazol-1-ium-5-ylium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 339.196 g·mol−1
Heat of Formation -1777.2 ± 16.7 kJ·mol−1
Dipole Moment 6.29 ± 1.08 D
Volume 339.18 Å 3
Surface Area 295.04 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-4-carboxamide, 5-hydroxy-1-(5-o-phosphono-beta-d-ribofuranosyl)-
  • [(2r,3s,4r,5r)-5-(4-aminocarbonyl-5-hydroxy-imidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-carbamoyl-5-hydroxy-1-imidazolyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-carbamoyl-5-hydroxy-imidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • brd-mp
  • bredinin 5'-monophosphate
  • mizoribine monophosphate
CAS Number(s)
  • 62025-48-3
InChIKey KTKAFSMJDTUUAN-UUOKFMHZSA-N
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