(5Z)-7-{(1S,2S,3S,5R)-2-[(1E,3S)-4-(3-Chlorophenoxy)-3-Hydroxy-1-Buten-1-Yl]-3,5-Dihydroxycyclopentyl}-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C22H29ClO6
IUPAC Name (z)-7-[(1s,2s,3s,5r)-2-[(e,3s)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
Molecular Mass 424.915 g·mol−1
Heat of Formation -1113.1 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 520.04 Å 3
Surface Area 390.09 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1s,2s,3s,5r)-2-[(e,3s)-4-(3-chlorophenoxy)-3-hydroxy-but-1-enyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1s,2s,3s,5r)-2-[(e,3s)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
  • smp1_000075
InChIKey VJGGHXVGBSZVMZ-CHPNCWRZSA-N
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Elements H C O Cl