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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H21N4O4S+
IUPAC Name 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(1s)-1-hydroxyethyl]tetrahydrofuran-2-yl]-3,8-dihydro-2h-purine-1,2,4,5,7,8-hexaide-6-thione
Molecular Mass 305.374 g·mol−1
Heat of Formation -393.0 ± 16.7 kJ·mol−1
Dipole Moment 14.06 ± 1.08 D
Volume 320.51 Å 3
Surface Area 281.82 Å 2
HOMO Energy -7.92 ± 0.55 eV
LUMO Energy -0.93 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N