7-(6-Deoxy-β-L-Mannofuranosyl)-3,7-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C11H15N4O5
IUPAC Name 7-[(2s,3r,4s,5s)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purine-1,9-diium-5-id-6-one
Molecular Mass 283.261 g·mol−1
Heat of Formation -668.7 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 299.48 Å 3
Surface Area 262.1 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 7-(6-deoxy-alpha-l-talofuranosyl)-1,7-dihydro-
  • 7-(6'-deoxy-alpha-l-talofuranosyl)hypoxanthine
  • 7-(6'-deoxytalofuranosyl)hypoxanthine
  • 7-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(1-hydroxyethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 7-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-3h-purin-6-one
  • 7-[(2s,3r,4s,5s)-3,4-dihydroxy-5-(1-hydroxyethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 7-dtfh
CAS Number(s)
  • 86527-19-7
InChIKey DQHCWWAARZMHKW-UBJKSCQCSA-N
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