4-Nitro-1-(5-O-Phosphono-β-D-Ribofuranosyl)-1H-Imidazol-5-Amine

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Properties Simple | Detailed

Formula C8H14N4O9P
IUPAC Name [(2r,3s,4r,5r)-5-(5-amino-4-nitro-imidazol-3-ium-5-id-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 341.192 g·mol−1
Heat of Formation -1457.3 ± 16.7 kJ·mol−1
Dipole Moment 10.93 ± 1.08 D
Volume 333.91 Å 3
Surface Area 295.04 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry C1
Synonyms
  • ((2r,3s,4r,5r)-5-(5-amino-4-nitro-1h-imidazol-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
  • 4-nitro-5-aminoimidazole ribonucleotide
  • [(2r,3s,4r,5r)-5-(5-amino-4-nitro-1-imidazolyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-amino-4-nitro-imidazol-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(5-amino-4-nitro-imidazol-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • nia
  • nitro air
InChIKey YVRCVGZPIYHJLU-AFCXAGJDSA-N
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