(2R)-3-[Acetyl(3-Amino-2,4,6-Triiodophenyl)Amino]-2-Methylpropanoic Acid

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Properties Simple | Detailed

Formula C12H13I3N2O3
IUPAC Name (2r)-3-(n-acetyl-3-amino-2,4,6-triiodo-anilino)-2-methyl-propanoic acid
Molecular Mass 613.957 g·mol−1
Heat of Formation -305.7 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 401.87 Å 3
Surface Area 327.97 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-[(3-amino-2,4,6-triiodo-phenyl)-ethanoyl-amino]-2-methyl-propanoic acid
  • (2r)-3-[acetyl-(3-amino-2,4,6-triiodo-phenyl)amino]-2-methyl-propanoic acid
  • (2r)-3-[acetyl-(3-amino-2,4,6-triiodo-phenyl)amino]-2-methyl-propionic acid
  • (2r)-3-[acetyl-(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid
InChIKey GSVQIUGOUKJHRC-RXMQYKEDSA-N
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