(5Z,9β,11Alpha,13E,16S)-17-Allyl-9-Chloro-11,16-Dihydroxy-17,20-Cycloprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C23H35ClO4
IUPAC Name (z)-7-[(1r,2r,3r,5r)-2-[(e,4s)-4-(1-allylcyclobutyl)-4-hydroxy-but-1-enyl]-5-chloro-3-hydroxy-cyclopentyl]hept-5-enoic acid
Molecular Mass 410.975 g·mol−1
Heat of Formation -856.3 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 523.06 Å 3
Surface Area 388.82 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,3r,5r)-2-[(e,4s)-4-(1-allylcyclobutyl)-4-hydroxy-but-1-enyl]-5-chloro-3-hydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,5r)-2-[(e,4s)-4-(1-allylcyclobutyl)-4-hydroxybut-1-enyl]-5-chloro-3-hydroxycyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2r,3r,5r)-5-chloro-3-hydroxy-2-[(e,4s)-4-hydroxy-4-(1-prop-2-enylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
  • ono-ae1-259
InChIKey XXTBGKDWFYXGDZ-KJCKJCAZSA-N
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Elements H C O Cl