2-({3-Acetamido-5-[Acetyl(Methyl)Amino]-2,4,6-Triiodobenzoyl}Amino)-2-Deoxy-D-Glucitol

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Properties Simple | Detailed

Formula C18H24I3N3O8
IUPAC Name 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-n-[(1s,2r,3s,4r)-2,3,4,5-tetrahydroxy-1-(hydroxymethyl)pentyl]benzamide
Molecular Mass 791.112 g·mol−1
Heat of Formation -1236.8 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 609.81 Å 3
Surface Area 460.92 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 3-acetamido-5-(acetyl-methyl-amino)-2,4,6-triiodo-n-[(1s,2r,3s,4r)-2,3,4,5-tetrahydroxy-1-(hydroxymethyl)pentyl]benzamide
  • 3-acetamido-5-(acetyl-methyl-amino)-2,4,6-triiodo-n-[(1s,2r,3s,4r)-2,3,4,5-tetrahydroxy-1-methylol-pentyl]benzamide
  • 3-acetamido-5-(acetyl-methylamino)-2,4,6-triiodo-n-[(1s,2r,3s,4r)-2,3,4,5-tetrahydroxy-1-(hydroxymethyl)pentyl]benzamide
  • 3-acetamido-5-(ethanoyl-methyl-amino)-2,4,6-triiodo-n-[(2s,3r,4s,5r)-1,3,4,5,6-pentahydroxyhexan-2-yl]benzamide
  • d-glucitol, 2-((3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl)amino)-2-deoxy-
  • n-(3-acetamido-5-n-methylacetamido-2,4,6-triiodobenzoyl)-2-amino-2-deoxy-d-glucitol
CAS Number(s)
  • 31112-66-0
InChIKey NUOWFOQTUFBLMU-RFMXWLSYSA-N
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