1,3,4,6-Tetra-O-Acetyl-2-[(Chloroacetyl)Amino]-2-Deoxy-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C16H22ClNO10
IUPAC Name [(2r,3s,4r,5r,6s)-3,4,6-triacetoxy-5-[(2-chloroacetyl)amino]tetrahydropyran-2-yl]methyl acetate
Molecular Mass 423.800 g·mol−1
Heat of Formation -1952.0 ± 16.7 kJ·mol−1
Dipole Moment 1.27 ± 1.08 D
Volume 461.66 Å 3
Surface Area 379.71 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4,6-tetra-o-acetyl-2-chloroacetamido-2-deoxy-beta-glucopyranose
  • 1,3,4,6-tetra-o-acetyl-2-deoxy-2-(chloroacetamido)-beta-d-glucose
  • [(2s,3r,4r,5s,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2-chloroacetyl)amino]tetrahydropyran-4-yl] acetate
  • [(2s,3r,4r,5s,6r)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-(2-chloroethanoylamino)oxan-4-yl] ethanoate
  • [(2s,3r,4r,5s,6r)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2-chloroacetyl)amino]oxan-4-yl] acetate
  • acetic acid [(2s,3r,4r,5s,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2-chloro-1-oxoethyl)amino]-4-tetrahydropyranyl] ester
  • acetic acid [(2s,3r,4r,5s,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2-chloroacetyl)amino]tetrahydropyran-4-yl] ester
  • beta-d-glucopyranose, 2-((chloroacetyl)amino)-2-deoxy-, 1,3,4,6-tetraacetate
  • glucose, 2-deoxy-2-(chloroacetamido)-1,3,4,6-tetra-o-acetyl-, beta-d-
CAS Number(s)
  • 68499-56-9
InChIKey FRQAGJSNWYVMNG-JPIRQXTESA-N
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