[(2R,3S,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3-{[{[(2R,3S,5R)-5-(2-Amino-6-Oxo-1,6-Dihydro-9H-Purin-9-Yl)-3-Hydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}Tetrahydro-2-Furanyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C20H26N10O13P2
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 676.427 g·mol−1
Heat of Formation -2405.7 ± 16.7 kJ·mol−1
Dipole Moment 14.76 ± 1.08 D
Volume 678.18 Å 3
Surface Area 488.96 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-guanylic acid, 2'-deoxyguanylyl-(5'-3')-2'-deoxy-
  • [(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
  • d(pgpg)
  • deoxy(5'-guanylyl-3'-guanylic acid)
  • deoxydiguanosine diphosphosphate
CAS Number(s)
  • 128145-22-2
  • 26467-04-9
  • 35680-27-4
  • 38665-16-6
InChIKey FHNURBISTWFIJX-WGWHJZDNSA-N
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