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

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Properties Simple | Detailed

Formula C18H22I3N3O8
IUPAC Name 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-n-[(2s,3r,4r,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]benzamide
Molecular Mass 789.096 g·mol−1
Heat of Formation -1198.7 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 589.55 Å 3
Surface Area 450.14 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
InChIKey BAQCROVBDNBEEB-KSDLJXBFSA-N
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