2-Amino-7-Hydroxy-1,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C5H5N5O2
IUPAC Name 2-amino-7-hydroxy-3,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one
Molecular Mass 167.125 g·mol−1
Heat of Formation 78.7 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 169.78 Å 3
Surface Area 172.9 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-7-hydroxy-3h-purin-6-one
  • 6h-purin-6-one, 2-amino-1,7-dihydro-7-hydroxy-
  • 6h-purin-6-one, 2-amino-1,9-dihydro-, 7-oxide (9ci)
  • 7-hydroxyguanine
  • antibiotic 3780
  • antibiotic pd 113876
  • guanine 7-n-oxide
  • guanine 7-oxide
  • guanine n7-oxide
  • guanine, 7-oxide
  • guanine, n-7-oxide
  • guanine-7-n-oxide
  • pd 113876
CAS Number(s)
  • 16870-91-0
  • 5227-68-9
InChIKey PIIRLHSJVLBMJN-UHFFFAOYSA-N
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