[(2R,3S,4R,5R)-5-[4-Carbamoyl-5-[(E)-[[(3R,4R)-3,4-Dihydroxy-2-Oxo-5-Phosphonooxy-Pentyl]Amino]Methyleneamino]Imidazol-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C15H25N5O15P2
IUPAC Name [(2r,3s,4r,5r)-5-[4-carbamoyl-5-[[(e)-[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethyl]amino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 577.331 g·mol−1
Heat of Formation -3144.4 ± 16.7 kJ·mol−1
Dipole Moment 7.85 ± 1.08 D
Volume 580.07 Å 3
Surface Area 479.34 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(5-o-phosphono-1-deoxy-d-ribulos-1-ylamino)methylideneamino]-1-(5-o-phosphono-d-ribosyl)imidazole-4-carboxamide
  • 5-[(5-phospho-1-deoxy-d-ribulos-1-ylamino)methylideneamino]-1-(5-phospho-d-ribosyl)imidazole-4-carboxamide
  • 5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide
  • [(2r,3s,4r,5r)-5-[4-aminocarbonyl-5-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-carbamoyl-5-[[(3r,4r)-3,4-dihydroxy-2-keto-5-phosphonooxy-pentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-carbamoyl-5-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxy-pentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-carbamoyl-5-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]-1-imidazolyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[4-carbamoyl-5-[[(3r,4r)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl]iminomethylamino]imidazol-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • d-erythro-2-pentulose-1-[[[[4-(aminocarbonyl)-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazol-5-yl]amino]methylene]amino]-1-deoxy-5-(dihydrogen phosphate)
  • n(1)-((5'-phosphoribulosyl)formimino)-5-aminoimidazo-4-carboxamide ribonucleotide
  • phosphoribulosyl-formimino-aicar-phosphate
  • phosphoribulosylformimino-aicar-phosphate
CAS Number(s)
  • 36244-86-7
InChIKey BLKFNHOCHNCLII-GHVQHMAVSA-N
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