3-{5-O-[Hydroxy(2-Methyl-1H-Imidazol-1-Yl)Phosphoryl]-β-D-Ribofuranosyl}-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C14H17N6O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2,6-dioxo-7h-purin-9-ium-5-id-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methyl-4h-imidazol-1-ium-4-id-3-yl)phosphinic acid
Molecular Mass 428.294 g·mol−1
Heat of Formation -1409.3 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 435.79 Å 3
Surface Area 346.39 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2-meimpix
  • 3-isoxanthosine 5'-phospho-2-methylimidazole
  • [(2r,3s,4r,5r)-5-(2,6-diketo-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-7h-purin-3-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-(2-methyl-1-imidazolyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-7h-purin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(2,6-dioxo-7h-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
CAS Number(s)
  • 135078-46-5
InChIKey QLJHDBUEOAQPFI-QYVSTXNMSA-N
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