9-(6-Deoxy-β-D-Allofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Formula C11H14N4O5
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(1r)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 282.253 g·mol−1
Heat of Formation -637.4 ± 16.7 kJ·mol−1
Dipole Moment 13.21 ± 1.08 D
Volume 307.47 Å 3
Surface Area 271.6 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 9-(6-deoxy-beta-d-allofuranosyl)-1,9-dihydro-
  • 9-(6'-deoxy-beta-d-allofuranosyl)hypoxanthine
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-3h-purin-6-one
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-dafh
InChIKey GNEUXCLUOVTONK-RWONEVQGSA-N
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