9-(6-Deoxy-α-L-Talofuranosyl)-3,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C11H14N4O4S
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3h-purine-6-thione
Molecular Mass 298.318 g·mol−1
Heat of Formation -392.9 ± 16.7 kJ·mol−1
Dipole Moment 13.99 ± 1.08 D
Volume 323.11 Å 3
Surface Area 282.15 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy 3.06 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-thione, 9-(6-deoxy-alpha-l-talofuranosyl)-1,9-dihydro-
  • 9-(6'-deoxy-alpha-l-talofuranosyl)-6-thiopurine
  • 9-(6'-deoxytalofuranoysl)-6-thiopurine
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)-2-tetrahydrofuranyl]-3h-purine-6-thione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-3h-purine-6-thione
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(1-hydroxyethyl)tetrahydrofuran-2-yl]-3h-purine-6-thione
  • 9-dtft
InChIKey LMTPULIBTJWSQT-ZGAAAFHUSA-N
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