(4E)-5-Oxo-1-Phenyl-4-(2-Thienylmethylene)-4,5-Dihydro-1H-Imidazol-2-Yl 2,3,4,6-Tetra-O-Acetyl-1-Thio-β-D-Glucopyranoside

Molecule SVG Image

Properties Simple | Detailed

Formula C28H28N2O10S2
IUPAC Name [(2r,3r,4s,5r,6s)-3,4,5-triacetoxy-6-[(4e)-5-oxo-1-phenyl-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 616.659 g·mol−1
Heat of Formation -1436.0 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 679.55 Å 3
Surface Area 524.17 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 3-phenyl-5-(2-thienylmethylene)-2-(2,3,4,6-tetra-o-acetylglucopyranosyl)-2-thiohydantoin
  • 4h-imidazol-4-one, 3,5-dihydro-3-phenyl-2-((2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)thio)-5-(2-thienylmethylene)-
  • [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[(4e)-5-oxo-1-phenyl-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[5-oxo-1-phenyl-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(4e)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-4-yl] ethanoate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(4e)-5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-4-yl] ethanoate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[5-oxo-1-phenyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-4-yl] acetate
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[(4e)-5-keto-1-phenyl-4-(2-thienylmethylene)imidazol-2-yl]thio]tetrahydropyran-4-yl] ester
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[(4e)-5-oxo-1-phenyl-4-(2-thienylmethylene)-2-imidazolyl]thio]-4-tetrahydropyranyl] ester
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[5-keto-1-phenyl-4-(2-thienylmethylene)imidazol-2-yl]thio]tetrahydropyran-4-yl] ester
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[5-oxo-1-phenyl-4-(2-thienylmethylene)-2-imidazolyl]thio]-4-tetrahydropyranyl] ester
  • ptmtgth
CAS Number(s)
  • 151731-16-7
InChIKey FPRYYLFGRJZXPA-OOWJONFLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N