N-(Bromoacetyl)-β-D-Glucopyranosylamine

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Properties Simple | Detailed

Formula C8H14BrNO6
IUPAC Name 2-bromo-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]acetamide
Molecular Mass 300.104 g·mol−1
Heat of Formation -1139.6 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 274.49 Å 3
Surface Area 252.68 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]acetamide
  • 2-bromo-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide
  • 2-bromo-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethanamide
  • 2-bromo-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]acetamide
  • 2-bromo-n-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]acetamide
  • acetamide, 2-bromo-n-beta-d-glucopyranosyl-
  • n-brac-glc-nh2
  • n-bromoacetyl-beta-d-glucopyranosylamine
  • n-bromoacetylglucopyranosylamine
CAS Number(s)
  • 59204-05-6
InChIKey FBDRYZFAXBPZEB-RHROMQPHSA-N
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Elements H C O Br N