(4Z)-6-[(2R,4R,5S)-2-(2-Chlorophenyl)-4-(2-Hydroxyphenyl)-1,3-Dioxan-5-Yl]-4-Hexenoic Acid

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Formula C22H23ClO5
IUPAC Name (z)-6-[(2r,4r,5s)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
Molecular Mass 402.868 g·mol−1
Heat of Formation -775.0 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 462.91 Å 3
Surface Area 375.38 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-6-[(2r,4r,5s)-2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl]hex-4-enoic acid
  • 4-hexenoic acid, 6-(2-(2-chlorophenyl)-4-(2-hydroxyphenyl)-1,3-dioxan-5-yl)-, (2alpha,4alpha,5alpha(z))-
  • 6-(2-(2-chlorophenyl-4-hydroxyphenyl)-1,3-dioxan-5-yl)hexenoic acid
  • ici 192605
  • ici-192605
CAS Number(s)
  • 117621-64-4
InChIKey WHUIENZXNGAHQI-YGPRPMEGSA-N
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