5-Amino-1-(5-O-Phosphono-β-D-Ribofuranosyl)-1H-Imidazole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C9H14N3O9P
IUPAC Name 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazol-3-ium-5-ide-4-carboxylic acid
Molecular Mass 339.196 g·mol−1
Heat of Formation -1809.1 ± 16.7 kJ·mol−1
Dipole Moment 6.82 ± 1.08 D
Volume 337.78 Å 3
Surface Area 304.22 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5'-phosphoribosyl)-5-amino-4-carboxyimidazole
  • 1-(5'-phosphoribosyl)-5-amino-4-imidazolecarboxylate
  • 1-(5-phospho-d-ribosyl)-5-amino-4-imidazolecarboxylate
  • 1h-imidazole-4-carboxylic acid, 5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-
  • 4-carboxy-5-aminoimidazole ribonucleotide
  • 5'-phosphoribosyl-5-amino-4-imidazolecarboxylate
  • 5'phosphoribosyl-4-carboxy-5-aminoimidazole
  • 5-amino-1-(5-phospho-d-ribosyl)imidazole-4-carboxylate
  • 5-amino-1-(5-phospho-d-ribosyl)imidazole-4-carboxylic acid
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-4-imidazolecarboxylic acid
  • 5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxylic acid
  • 5-amino-4-carboxyimidazole ribonucleotide
  • 5-amino-4-imidazolecarboxylic acid ribonucleotide
  • 5-aminoimidazole carboxilic acid ribonucleotice
  • 5-aminoimidazole-4-carboxilic acid ribonucleotide
  • aicor
  • c2r
  • cair, 4-carboxy-5-aminoimidazole ribonucleotide
  • carboxy-air
  • carboxyaminoimidazole ribotide
  • imidazole-4-carboxilic acid-5-amino-1-beta-d-ribofuranosyl-5'-(dihydrogen phosphate)
CAS Number(s)
  • 6001-14-5
InChIKey XFVULMDJZXYMSG-ZIYNGMLESA-N
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