5-{Acetyl[(2R)-2,3-Dihydroxypropyl]Amino}-N,N'-Bis[(2R)-2,3-Dihydroxypropyl]-2,4,6-Triiodoisophthalamide

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Formula C19H26I3N3O9
IUPAC Name 5-[acetyl-[(2r)-2,3-dihydroxypropyl]amino]-n1,n3-bis[(2r)-2,3-dihydroxypropyl]-2,4,6-triiodo-benzene-1,3-dicarboxamide
Molecular Mass 821.138 g·mol−1
Heat of Formation -1408.4 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 638.67 Å 3
Surface Area 499.95 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[acetyl-[(2r)-2,3-dihydroxypropyl]amino]-n,n'-bis[(2r)-2,3-dihydroxypropyl]-2,4,6-triiodo-benzene-1,3-dicarboxamide
  • n,n'-bis[(2r)-2,3-dihydroxypropyl]-5-[[(2r)-2,3-dihydroxypropyl]-ethanoyl-amino]-2,4,6-triiodo-benzene-1,3-dicarboxamide
InChIKey NTHXOOBQLCIOLC-GMTAPVOTSA-N
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