9-(β-D-Xylofuranosyl)-3,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C10H12N4O4S
IUPAC Name 9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-6-thione
Molecular Mass 284.292 g·mol−1
Heat of Formation 379.9 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 290.97 Å 3
Surface Area 285.83 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -2.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 6h-purine-6-thione, 1,9-dihydro-9-beta-d-xylofuranosyl-
  • 9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purine-6-thione
  • 9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3h-purine-6-thione
  • 9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-6-thione
  • 9-[(2r,3r,4r,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purine-6-thione
  • nsc 84321
  • xylosyl-6-mercaptopurine
CAS Number(s)
  • 2946-28-3
InChIKey NKGPJODWTZCHGF-GAWUUDPSSA-N
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