(2S)-2-{[(S)-Hydroxy(4-Iodobenzyl)Phosphoryl]Methyl}Pentanedioic Acid

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Properties Simple | Detailed

Formula C13H16IO6P
IUPAC Name (2s)-2-[[hydroxy-[(4-iodophenyl)methyl]phosphoryl]methyl]pentanedioic acid
Molecular Mass 426.141 g·mol−1
Heat of Formation -1215.0 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 390.52 Å 3
Surface Area 348.46 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[hydroxy-(4-iodobenzyl)phosphoryl]methyl]glutaric acid
  • (2s)-2-{[hydroxy(4-iodobenzyl)phosphoryl]methyl}pentanedioic acid
  • 24i
InChIKey PPTCQJLGUKWAEP-SNVBAGLBSA-N
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