[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Oxo-1,3,5-Triazin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C18H25N9O13P2
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 637.391 g·mol−1
Heat of Formation -2529.6 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 647.64 Å 3
Surface Area 495.67 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(4-amino-2-keto-s-triazin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • poly(d(g-5-azac))
  • poly(d(g-z(5)c))
  • poly(deoxyguanylic-5-azadeoxycytidylic acid)
CAS Number(s)
  • 91796-04-2
InChIKey ITLRPRKZSLZYJZ-WGWHJZDNSA-N
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