{(2S,5R)-5-[2-Amino-6-(Cyclopropylamino)-9H-Purin-9-Yl]-2,5-Dihydro-2-Furanyl}Methanol

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Properties Simple | Detailed

Formula C13H16N6O2
IUPAC Name [(2s,5r)-5-[2-amino-6-(cyclopropylamino)purin-9-ium-9-yl]-2,5-dihydrofuran-2-yl]methanol
Molecular Mass 288.305 g·mol−1
Heat of Formation 85.2 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 330.2 Å 3
Surface Area 300.75 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-cyclopropylamino-9-(2,3-dideoxy-.beta.-d-glycero-pent-2-eno-furanosyl)purine
  • [(2s,5r)-5-[2-amino-6-(cyclopropylamino)-9-purinyl]-2,5-dihydrofuran-2-yl]methanol
  • [(2s,5r)-5-[2-amino-6-(cyclopropylamino)purin-9-yl]-2,5-dihydrofuran-2-yl]methanol
  • cd4g
  • cyclo-d4g
InChIKey NVYDRYQHBGGDQE-DTWKUNHWSA-N
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