3-{3-[(4-Azidophenyl)Sulfonyl]-1-(4-Hydroxy-3-Iodobenzyl)-5-Isopropyl-1H-Indol-2-Yl}-2,2-Dimethylpropanoic Acid

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Properties Simple | Detailed

Formula C29H30IN4O5S
IUPAC Name 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-isopropyl-indol-1-ium-2-ylium-2-yl]-2,2-dimethyl-propanoic acid
Molecular Mass 673.542 g·mol−1
Heat of Formation -320.6 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 692.54 Å 3
Surface Area 488.74 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-2-propanoic acid, 3-((4-azidophenyl)sulfonyl)-1-((4-hydroxy-3-iodophenyl)methyl)-alpha,alpha-dimethyl-5-(1-methylethyl)-
  • 3-[3-(4-azidophenyl)sulfonyl-1-(4-hydroxy-3-iodo-benzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodophenyl)methyl]-5-isopropyl-2-indolyl]-2,2-dimethylpropanoic acid
  • 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
  • l 669083
  • l-669,083
CAS Number(s)
  • 130007-52-2
InChIKey AKCMQYDDRKIENA-UHFFFAOYSA-N
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