3-Acetamido-5-(Hexopyranosyloxy)-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,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzamide
Molecular Mass 748.044 g·mol−1
Heat of Formation -1147.0 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 538.15 Å 3
Surface Area 395.37 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
InChIKey NGOYURKHFAWGEJ-ZLCJGTAESA-N
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