[(2R,3S,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-{[{[(2R,3S,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3-Hydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}Tetrahydro-2-Furanyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H25N7O13P2
IUPAC Name [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 621.388 g·mol−1
Heat of Formation -2604.5 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 633.89 Å 3
Surface Area 538.32 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 2'-deoxyuridylyl-(5'-3')-2'-deoxy-, homopolymer
  • [(2r,3s,5r)-5-(6-amino-9-purinyl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • poly(d(a-u))
  • poly(da-du).poly(da-du)
CAS Number(s)
  • 34607-75-5
InChIKey DNCUBWCOSZRGTK-IDMWBNCISA-N
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