(5Z)-7-{(1S,2R,3R,4R)-3-[(1E,3R)-3-Hydroxy-4-(4-Iodophenoxy)-1-Buten-1-Yl]-7-Oxabicyclo[2.2.1]Hept-2-Yl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C23H29IO5
IUPAC Name (z)-7-[(1s,2r,3r,4r)-3-[(e,3r)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Molecular Mass 512.378 g·mol−1
Heat of Formation -744.5 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 528.83 Å 3
Surface Area 373.41 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,4r,5r,6r)-5-[(e,3r)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
  • i-bop
InChIKey UYFMSCHBODMWON-HBHIRWTLSA-N
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