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

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Properties Simple | Detailed

Formula C14H18N7O7P
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purine-1,9-diium-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 427.309 g·mol−1
Heat of Formation -1164.3 ± 16.7 kJ·mol−1
Dipole Moment 8.34 ± 1.08 D
Volume 438.94 Å 3
Surface Area 350.3 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 2-meimpiig
  • 2h-purin-2-one, 6-amino-1,3-dihydro-3-(5-o-(hydroxy(2-methyl-1h-imidazol-1-yl)phosphinyl)-beta-d-ribofuranosyl)-
  • 3-isoisoguanosine 5'-phospho-2-methylimidazole
  • [(2r,3s,4r,5r)-5-(6-amino-2-keto-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-(2-methyl-1-imidazolyl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
  • [(2r,3s,4r,5r)-5-(6-amino-2-oxo-7h-purin-3-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-(2-methylimidazol-1-yl)phosphinic acid
CAS Number(s)
  • 135052-69-6
InChIKey OPVCWFNAFZYWTJ-QYVSTXNMSA-N
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