9-(6-Deoxy-β-L-Mannofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H14N4O5
IUPAC Name 9-[(2s,3r,4s,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purin-6-one
Molecular Mass 282.253 g·mol−1
Heat of Formation -625.4 ± 16.7 kJ·mol−1
Dipole Moment 13.77 ± 1.08 D
Volume 302.96 Å 3
Surface Area 265.44 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 9-(6-deoxy-alpha-l-talofuranosyl)-1,9-dihydro-
  • 9-(6'-deoxy-alpha-l-talofuranosyl)hypoxanthine
  • 9-(6'-deoxytalofuranosyl)hypoxanthine
  • 9-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(1-hydroxyethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 9-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-3h-purin-6-one
  • 9-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(1-hydroxyethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-dtfh
CAS Number(s)
  • 86527-20-0
InChIKey GNEUXCLUOVTONK-UBJKSCQCSA-N
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