2,8-Dihydroxyadenine

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Properties Simple | Detailed

Formula C5H9N5O2
IUPAC Name 6-amino-7,9-dihydro-1h-purine-3,4,5,6-tetraide-2,8-dione
Molecular Mass 171.157 g·mol−1
Heat of Formation -158.1 ± 16.7 kJ·mol−1
Dipole Moment 7.74 ± 1.08 D
Volume 169.4 Å 3
Surface Area 173.35 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-amino-1h-purine-2,8(3h,7h)-dione
CAS Number(s)
  • 30377-37-8
InChIKey XFBOJHLYDJZYSP-UHFFFAOYSA-N
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DOI
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