7H-Purin-6-Yl 6-Deoxy-1-Thio-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C11H14N4O4S
IUPAC Name (2r,3s,4s,5r,6s)-2-methyl-6-purin-7-ium-6-ylium-6-ylsulfanyl-tetrahydropyran-3,4,5-triol
Molecular Mass 298.318 g·mol−1
Heat of Formation -448.3 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 315.59 Å 3
Surface Area 284.71 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6s)-2-methyl-6-(7h-purin-6-ylsulfanyl)oxane-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methyl-6-(7h-purin-6-ylsulfanyl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6s)-2-methyl-6-(7h-purin-6-ylthio)tetrahydropyran-3,4,5-triol
  • 1h-purine, 6-((6-deoxy-beta-d-glucopyranosyl)thio)-
  • 6-((6-deoxy-beta-d-glucopyranosyl)thio)-1h-purine
  • 6-pdtg
  • 6-purinyl 6-deoxy-1-thioglucopyranoside
  • purin-6-yl 6-deoxy-1-thio-beta-d-glucopyranoside
CAS Number(s)
  • 114248-64-5
InChIKey TVPVIRSGJHKOBG-RYIOEUIJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N