2-[(Bromoacetyl)Amino]-2-Deoxy-β-D-Galactopyranose

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Properties Simple | Detailed

Formula C8H14BrNO6
IUPAC Name 2-bromo-n-[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 300.104 g·mol−1
Heat of Formation -1138.0 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 274.95 Å 3
Surface Area 249.62 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-n-[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • 2-bromo-n-[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • 2-bromo-n-[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • 2-bromo-n-[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • 2-bromo-n-[(2r,3r,4r,5r,6r)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • acetamide, 2-bromo-n-beta-d-galactopyranosyl-
  • n-bromoacetyl-beta-d-galactosylamine
CAS Number(s)
  • 29086-04-2
InChIKey WOSGOBKGQFRKCM-RHROMQPHSA-N
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Elements H C O Br N