7-(6-Deoxy-β-D-Allofuranosyl)-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H15N4O5
IUPAC Name 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(1r)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 283.261 g·mol−1
Heat of Formation -662.4 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 302.11 Å 3
Surface Area 266.32 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 7-(6-deoxy-beta-d-allofuranosyl)-1,7-dihydro-
  • 7-(6-deoxy-beta-d-allofuranosyl)hypoxanthine
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-3h-purin-6-one
  • 7-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 7-dafh
CAS Number(s)
  • 85421-85-8
InChIKey DQHCWWAARZMHKW-RWONEVQGSA-N
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