9-[(2-Hydroxyethoxy)Methyl]-8-Hydroxyguanine

Molecule SVG Image

Properties Simple | Detailed

Formula C8H11N5O4
IUPAC Name 2-amino-9-(2-hydroxyethoxymethyl)-3,7-dihydropurine-1,2,4,5-tetraide-6,8-dione
Molecular Mass 241.204 g·mol−1
Heat of Formation -514.2 ± 16.7 kJ·mol−1
Dipole Moment 7.94 ± 1.08 D
Volume 257.48 Å 3
Surface Area 232.69 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-6,8-dione, 2-amino-7,9-dihydro-9-((2-hydroxyethoxy)methyl)-
  • 2-amino-9-(2-hydroxyethoxymethyl)-3,7-dihydropurine-6,8-dione
  • 2-amino-9-(2-hydroxyethoxymethyl)-3,7-dihydropurine-6,8-quinone
  • 8-hydroxy-9-(2-hydroxyethoxymethyl)guanine
  • 8-hydroxyacyclovir
CAS Number(s)
  • 80685-23-0
InChIKey PTSDSAPWOJZBNX-UHFFFAOYSA-N
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