2-(3-Acetamido-2,4,6-Triiodo-5-(N-Methylacetamido)Benzamido)-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C18H22I3N3O8
IUPAC Name 3-acetamido-5-[acetyl(methyl)amino]-n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-2,4,6-triiodo-benzamide
Molecular Mass 789.096 g·mol−1
Heat of Formation -1166.2 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 597.26 Å 3
Surface Area 445.41 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-acetamido-5-(acetyl-methyl-amino)-n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxy-pentyl]-2,4,6-triiodo-benzamide
  • 3-acetamido-5-(acetyl-methylamino)-2,4,6-triiodo-n-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
  • 3-acetamido-5-(acetyl-methylamino)-n-[(1r,2r,3s,4r)-1-formyl-2,3,4,5-tetrahydroxypentyl]-2,4,6-triiodobenzamide
  • 3-acetamido-5-(ethanoyl-methyl-amino)-2,4,6-triiodo-n-[(2r,3r,4s,5r)-3,4,5,6-tetrahydroxy-1-oxo-hexan-2-yl]benzamide
InChIKey DTZMSDADRKLCQE-RFMXWLSYSA-N
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