5'-O-[Hydroxy(2-Methyl-1H-Imidazol-1-Yl)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C14H19N7O6P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methyl-4h-imidazol-1-ium-4-id-3-yl)phosphinic acid
Molecular Mass 412.318 g·mol−1
Heat of Formation -954.8 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 439.63 Å 3
Surface Area 347.02 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-meimpa
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-(2-methyl-1-imidazolyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • adenosine 5'-phospho-2-methylimidazolide
  • adenosine, 5'-(hydrogen (2-methyl-1h-imidazol-1-yl)phosphonate)
CAS Number(s)
  • 31008-65-8
InChIKey TWGWTXWTQPVUNN-IDTAVKCVSA-N
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