Adefovir

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Properties Simple | Detailed

Formula C8H12N5O4P
IUPAC Name 2-(6-aminopurin-9-ium-9-yl)ethoxymethylphosphonic acid
Molecular Mass 273.186 g·mol−1
Heat of Formation -709.1 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 285.02 Å 3
Surface Area 244.01 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • ((2-(6-amino-9h-purin-9-yl)ethoxy)methyl)phosphonic acid
  • 2-(6-amino-9-purinyl)ethoxymethylphosphonic acid
  • 2-(6-aminopurin-9-yl)ethoxymethylphosphonic acid
  • 5hg
  • 9-(2-(phosphonomethoxy)ethyl)adenine
  • 9-(2-phosphonylmethoxyethyl)adenine
  • 9-(2-phosphorylmethoxyethyl)adenine
  • adefovir (usan/inn)
  • d02768
  • drg-0156
  • gs 0393
  • gs 393
  • gs-0393
  • n-(2-phophonomethoxyethyl-2,6-diaminopurine)
  • n-(2-phosphonylmethoxyethyl)adenine
  • phosphonic acid, ((2-(6-amino-9h-purin-9-yl)ethoxy)methyl)-
  • phosphonic acid, [[2-(6-amino-9h-purin-9-yl)ethoxy]methyl]-
  • pmea
CAS Number(s)
  • 106941-25-7
InChIKey SUPKOOSCJHTBAH-UHFFFAOYSA-N
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