1-[(2-Amino-3H-Purin-6-Yl)Oxy]-3-Methyl-2-Butanone

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Properties Simple | Detailed

Formula C10H13N5O2
IUPAC Name 1-(2-aminopurin-7-ium-3-id-6-yl)oxy-3-methyl-butan-2-one
Molecular Mass 235.243 g·mol−1
Heat of Formation -73.3 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 271.85 Å 3
Surface Area 263.05 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2-amino-6,9-dihydro-1h-purin-6-yl)oxy]-3-methyl-2-butanol
  • 1-[(2-amino-7h-purin-6-yl)oxy]-3-methyl-butan-2-one
  • 1-[(2-amino-7h-purin-6-yl)oxy]-3-methylbutan-2-one
  • o6-substituted guanine deriv. 22
InChIKey BEXUQVHWMLPYKY-UHFFFAOYSA-N
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