1-Deoxy-1-{[N-(3,5-Diacetamido-2,4,6-Triiodobenzoyl)-N-Methylglycyl](Methyl)Amino}-D-Glucitol

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Properties Simple | Detailed

Formula C21H29I3N4O9
IUPAC Name 3,5-diacetamido-2,4,6-triiodo-n-methyl-n-[2-[methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxo-ethyl]benzamide
Molecular Mass 862.190 g·mol−1
Heat of Formation -1486.2 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 685.33 Å 3
Surface Area 456.45 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 3,5-diacetamido-2,4,6-triiodo-n-[2-keto-2-[methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-n-methyl-benzamide
  • 3,5-diacetamido-2,4,6-triiodo-n-methyl-n-[2-[methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxo-ethyl]benzamide
  • 3,5-diacetamido-2,4,6-triiodo-n-methyl-n-[2-[methyl-[(2s,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxoethyl]benzamide
InChIKey IWLIBARWYNRYQO-OCPVLIPCSA-N
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