2-Amino-7-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-1,7-Dihydro-4H-Pyrrolo[2,3-D]Pyrimidin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C11H17N4O13P3
IUPAC Name [[(2r,3s,5r)-5-(2-amino-4-oxo-1h-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 506.193 g·mol−1
Heat of Formation -3091.5 ± 16.7 kJ·mol−1
Dipole Moment 6.83 ± 1.08 D
Volume 477.94 Å 3
Surface Area 390.61 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-7-deaza-gtp
  • 2'-deoxy-7-deazaguanosine triphosphate
  • 4h-pyrrolo(2,3-d)pyrimidin-4-one, 2-amino-7-(2-deoxy-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-erythro-pentofuranosyl)-1,7-dihydro-
  • 7-deaza-2'-deoxyguanosine triphosphate
  • 7-deaza-2'-dgtp
  • [(2r,3s,5r)-5-(2-amino-4-keto-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-4-oxo-1h-pyrrolo[3,2-e]pyrimidin-7-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • c7-gdtp
CAS Number(s)
  • 101515-08-6
InChIKey DLLXAZJTLIUPAI-XLPZGREQSA-N
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