6-Amino-9-Benzyl-2-(2-Methoxyethoxy)-7,9-Dihydro-8H-Purin-8-One

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Properties Simple | Detailed

Formula C15H17N5O3
IUPAC Name 6-amino-9-benzyl-2-(2-methoxyethoxy)purine-7,9-diium-8-one
Molecular Mass 315.327 g·mol−1
Heat of Formation -183.6 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 364.89 Å 3
Surface Area 330.23 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-9-(benzyl)-2-(2-methoxyethoxy)-7h-purin-8-one
  • 6-amino-9-benzyl-2-(2-methoxyethoxy)-9h-purin-8-ol
  • 9-benzyl-8-hydroxy-2-(2-methoxyethoxy)adenine
  • tlr7 ligand ii
InChIKey YYCDGEZXHXHLGW-UHFFFAOYSA-N
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