2'-O-[(Carboxymethoxy)(Hydroxy)Phosphoryl]-3'-Deoxyguanosine

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Properties Simple | Detailed

Formula C12H16N5O9P
IUPAC Name 2-[[(2r,3r,5s)-2-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyacetic acid
Molecular Mass 405.257 g·mol−1
Heat of Formation -1654.7 ± 16.7 kJ·mol−1
Dipole Moment 12.22 ± 1.08 D
Volume 410.55 Å 3
Surface Area 324.68 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyguanosine-3'-(phospho-2''-o-glycolic acid)
  • 2-[[(2r,3r,5s)-2-(2-amino-6-keto-3h-purin-9-yl)-5-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyacetic acid
  • 2-[[(2r,3r,5s)-2-(2-amino-6-oxo-3h-purin-9-yl)-5-(hydroxymethyl)-3-tetrahydrofuranyl]oxy-hydroxyphosphoryl]oxyacetic acid
  • 2-[[(2r,3r,5s)-2-(2-amino-6-oxo-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-phosphoryl]oxyethanoic acid
  • 2-[[(2r,3r,5s)-2-(2-amino-6-oxo-3h-purin-9-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxyacetic acid
  • 2-[[(2r,3r,5s)-2-(2-amino-6-oxo-3h-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyacetic acid
  • 3'-guanylic acid, 2'-deoxy-, mono(carboxymethyl) ester
  • dgpga
CAS Number(s)
  • 84881-71-0
InChIKey QLLHARZHRAKIKU-WGDKSQQYSA-N
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