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

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Properties Simple | Detailed

Formula C19H28ClN2O10S2
IUPAC Name hydrogen sulfide; [(2r,3r,4s,5r,6s)-3,4,5-triacetoxy-6-(1,4-dimethyl-5-oxo-imidazol-3-ium-2-yl)sulfanyl-tetrahydropyran-2-yl]methyl acetate; chloride
Molecular Mass 544.016 g·mol−1
Heat of Formation -1465.2 ± 16.7 kJ·mol−1
Dipole Moment 3.23 ± 1.08 D
Volume 702.19 Å 3
Surface Area 558.58 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(4-chlorophenyl)-5-(2-thienylmethylene)-2-(2,3,4,6-tetra-o-acetylglucopyranosyl)-2-thiohydantoin
  • 4h-imidazol-4-one, 3-(4-chlorophenyl)-3,5-dihydro-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)-1-(4-chlorophenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[1-(4-chlorophenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-tetrahydropyran-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(4e)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-4-yl] ethanoate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(4e)-1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxan-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[1-(4-chlorophenyl)-5-oxo-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyl-oxan-4-yl] ethanoate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[1-(4-chlorophenyl)-5-oxo-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)-1-(4-chlorophenyl)-5-keto-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)-1-(4-chlorophenyl)-5-oxo-4-(2-thienylmethylene)-2-imidazolyl]thio]-4-tetrahydropyranyl] ester
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[1-(4-chlorophenyl)-5-keto-4-(2-thienylmethylene)imidazol-2-yl]thio]tetrahydropyran-4-yl] ester
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(acetoxymethyl)-6-[[1-(4-chlorophenyl)-5-oxo-4-(2-thienylmethylene)-2-imidazolyl]thio]-4-tetrahydropyranyl] ester
  • ctmght
CAS Number(s)
  • 151731-18-9
  • 496053-68-0
InChIKey GVUYKDYEPJVYJM-JDJOEZCJSA-N
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