2'-Deoxy-7-Ethyl-5'-O-[Hydroxy({Hydroxy[(Hydroxyphosphinato)Oxy]Phosphoryl}Oxy)Phosphoryl]-7-Hydroguanosine

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Properties Simple | Detailed

Formula C12H22N5O13P3
IUPAC Name [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3,8-dihydropurin-1-ium-8-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 537.250 g·mol−1
Heat of Formation -2847.2 ± 16.7 kJ·mol−1
Dipole Moment 29.90 ± 1.08 D
Volume 529.65 Å 3
Surface Area 442.54 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
Synonyms
  • [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-keto-3h-purin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3h-purin-9-ium-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3h-purin-9-ium-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3h-purin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[[(2r,3s,5r)-5-(2-amino-7-ethyl-6-oxo-3h-purin-9-ium-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • n(7)-etd-gtp
  • n(7)-ethyldeoxyguanosine 5'-triphosphate
CAS Number(s)
  • 122055-03-2
InChIKey HQDOCWFMMYPZNE-XLPZGREQSA-N
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