(5Z)-7-[(1R,2S,3S,5R)-2-{[(2R)-3-(3-Chlorophenoxy)-2-Hydroxypropyl]Sulfanyl}-3,5-Dihydroxycyclopentyl]-5-Heptenoic Acid

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Properties Simple | Detailed

Formula C21H29ClO6S
IUPAC Name (z)-7-[(1r,2s,3s,5r)-2-[(2r)-3-(3-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
Molecular Mass 444.969 g·mol−1
Heat of Formation -1185.5 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 520.4 Å 3
Surface Area 366.93 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-(z)-7-((1r*,2s*,3s*,5r*)-2-(((2r*)-3-(m-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-5-heptenoic acid
  • (z)-7-[(1r,2s,3s,5r)-2-[(2r)-3-(3-chlorophenoxy)-2-hydroxy-propyl]sulfanyl-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5r)-2-[(2r)-3-(3-chlorophenoxy)-2-hydroxypropyl]sulfanyl-3,5-dihydroxycyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5r)-2-[[(2r)-3-(3-chlorophenoxy)-2-hydroxy-propyl]thio]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid
  • (z)-7-[(1r,2s,3s,5r)-2-[[(2r)-3-(3-chlorophenoxy)-2-hydroxypropyl]thio]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
  • 5-heptenoic acid, 7-((1r,2s,3s,5r)-2-(((2r)-3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-, (5z)-rel-
  • 5-heptenoic acid, 7-(2-((3-(3-chlorophenoxy)-2-hydroxypropyl)thio)-3,5-dihydroxycyclopentyl)-, (1alpha(z),2beta(r*),3alpha,5alpha)-(+-)-
  • emd 34946
  • equestrolin
  • luprostiol [ban:inn]
CAS Number(s)
  • 67110-79-6
  • 88270-44-4
InChIKey KFUDFIMHDRJVLV-OZCLATTGSA-N
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Elements H S C O Cl