[(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 C18H19N9O13P2
IUPAC Name carbononitridic isocyanate; (z)-[(1s,5r)-4,6-dioxabicyclo[3.1.0]hexan-3-ylidene]cyanamide; [(2r,3s,5r)-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-2-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxymethyl]tetrahydrofuran-3-yl] methyl phosphate
Molecular Mass 631.343 g·mol−1
Heat of Formation -2498.8 ± 16.7 kJ·mol−1
Dipole Moment 12.21 ± 1.08 D
Volume 643.79 Å 3
Surface Area 528.24 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.05 ± 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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