2'-Deoxy-3',5'-Bis-O-[Hydroxy(1H-Imidazol-1-Yl)Phosphoryl]Guanosine

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Properties Simple | Detailed

Formula C16H19N9O8P2
IUPAC Name [(2r,3s,5r)-3-[hydroxy-[5-(isocyanomethyl)-4h-imidazol-1-ium-4-id-3-yl]phosphoryl]oxy-5-(6-oxo-2h-diazirino[1,3-a]purin-5-ium-2a-id-3-yl)tetrahydrofuran-2-yl]methoxy-isocyano-phosphinic acid
Molecular Mass 527.325 g·mol−1
Heat of Formation -1339.1 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 545.09 Å 3
Surface Area 457.7 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyguanosine 3',5'-diphosphoimidazolide
  • [(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-2-[(hydroxy-imidazol-1-yl-phosphoryl)oxymethyl]tetrahydrofuran-3-yl]oxy-imidazol-1-yl-phosphinic acid
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-[(hydroxy-(1-imidazolyl)phosphoryl)oxymethyl]-3-tetrahydrofuranyl]oxy-(1-imidazolyl)phosphinic acid
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-[(hydroxy-imidazol-1-yl-phosphoryl)oxymethyl]oxolan-3-yl]oxy-imidazol-1-yl-phosphinic acid
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-[(hydroxy-imidazol-1-yl-phosphoryl)oxymethyl]tetrahydrofuran-3-yl]oxy-imidazol-1-yl-phosphinic acid
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-[(hydroxy-imidazol-1-ylphosphoryl)oxymethyl]oxolan-3-yl]oxy-imidazol-1-ylphosphinic acid
  • impdgpim
CAS Number(s)
  • 96886-66-7
InChIKey ILLHYHLXVIJFBC-QJPTWQEYSA-N
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