N-{[5-Amino-1-(5-O-Phosphono-β-D-Ribofuranosyl)-1H-Imidazol-4-Yl]Carbonyl}-3-[Hydroxy(Nitroso)Amino]-L-Alanine

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Properties Simple | Detailed

Formula C12H19N6O12P+
IUPAC Name (2s)-2-[[5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazol-1-ium-5-ylium-4-carbonyl]amino]-3-[hydroxy(nitroso)amino]propanoic acid
Molecular Mass 470.286 g·mol−1
Heat of Formation -2030.1 ± 16.7 kJ·mol−1
Dipole Moment 8.60 ± 1.08 D
Volume 470.77 Å 3
Surface Area 407.55 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]carbonylamino]-3-(hydroxy-nitroso-amino)propanoic acid
  • (2s)-2-[[5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carbonyl]amino]-3-(hydroxy-nitrosoamino)propanoic acid
  • (2s)-2-[[5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]-3-(hydroxy-nitroso-amino)propanoic acid
  • (2s)-2-[[5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]imidazole-4-carbonyl]amino]-3-(hydroxy-nitroso-amino)propionic acid
  • (2s)-2-[[[5-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)-2-tetrahydrofuranyl]-4-imidazolyl]-oxomethyl]amino]-3-(hydroxy-nitrosoamino)propanoic acid
  • alanosyl-5-amino-4-imidazolecarboxylic acid ribonucleotide
  • alanosyl-aicor
  • l-alanine, n-((5-amino-1-(5-o-phosphono-beta-d-ribofuranosyl)-1h-imidazol-4-yl)carbonyl)-3-(hydroxynitrosoamino)-
CAS Number(s)
  • 76573-09-6
InChIKey KFSXBUYKLBCYQW-LJRSMJOYSA-N
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