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

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Formula C16H22BrNO10
IUPAC Name [(2r,3r,4r,5r,6s)-3,4,6-triacetoxy-5-[(2-bromoacetyl)amino]tetrahydropyran-2-yl]methyl acetate
Molecular Mass 468.251 g·mol−1
Heat of Formation -1889.5 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 474.56 Å 3
Surface Area 378.89 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,4,6-tetra-o-acetyl-2-deoxy-2-(bromoacetamido)-beta-d-galactose
  • [(2s,3r,4r,5r,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2-bromoacetyl)amino]tetrahydropyran-4-yl] acetate
  • [(2s,3r,4r,5r,6r)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-(2-bromoethanoylamino)oxan-4-yl] ethanoate
  • [(2s,3r,4r,5r,6r)-2,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2-bromoacetyl)amino]oxan-4-yl] acetate
  • acetic acid [(2s,3r,4r,5r,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2-bromo-1-oxoethyl)amino]-4-tetrahydropyranyl] ester
  • acetic acid [(2s,3r,4r,5r,6r)-2,5-diacetoxy-6-(acetoxymethyl)-3-[(2-bromoacetyl)amino]tetrahydropyran-4-yl] ester
  • beta-d-galactopyranose, 2-((bromoacetyl)amino)-2-deoxy-, 1,3,4,6-tetraacetate
  • galactose, 2-deoxy-2-(bromoacetamido)-1,3,4,6-tetra-o-acetyl-, beta-d-
  • n-bromoacetyl-beta-d-galactosamine tetra-o-acetate
CAS Number(s)
  • 68499-62-7
InChIKey HFBHVAHHJGXCMR-YMILTQATSA-N
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Elements H C O Br N