3-Acetamido-5-(β-D-Glucopyranosyloxy)-2,4,6-Triiodo-N-Methylbenzamide

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Properties Simple | Detailed

Formula C16H19I3N2O8
IUPAC Name 3-acetamido-2,4,6-triiodo-n-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
Molecular Mass 748.044 g·mol−1
Heat of Formation -1106.3 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 544.09 Å 3
Surface Area 407.31 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,5-triiodo-3-acetamido-5-n-methylcarboxamidophenyl- d-glucopyranoside
  • 2,4,6-triiodo-3-acetamido-5-n-methylcarboxamidophenyl beta-d-glucopyranoside
  • 3-(acetylamino)-5-(beta-d-glucopyranosyloxy)-2,4,6-triiodo-n-methylbenzamide
  • 3-acetamido-2,4,6-triiodo-n-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-benzamide
  • 3-acetamido-2,4,6-triiodo-n-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
  • 3-acetamido-2,4,6-triiodo-n-methyl-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-benzamide
  • 3-acetamido-2,4,6-triiodo-n-methyl-5-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]benzamide
  • 5-acetamido-3-(beta-d-glucopyranos-1-yloxy)-n-methyl-2,4,6-triiodobenzenecarboxamide
  • benzenecarboxamide, 5-acetamido-3-(beta-d-glucopyranos-1-yloxy)-n-methyl-2,4,6-triiodo-
CAS Number(s)
  • 58199-95-4
InChIKey NGOYURKHFAWGEJ-TVKQLUOBSA-N
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