(5Z,9α,11α,13E,15S)-11,15-Dihydroxy-6,9-Epithioprosta-5,13-Dien-1-Oic Acid

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Properties Simple | Detailed

Formula C20H32O4S
IUPAC Name (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]thiophen-2-ylidene]pentanoic acid
Molecular Mass 368.531 g·mol−1
Heat of Formation -884.5 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 482.39 Å 3
Surface Area 420.4 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]thiophen-2-ylidene]pentanoic acid
  • (5z)-5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]thiophen-2-ylidene]valeric acid
  • 6,9-thia-pgx
  • 6,9-thiaprostacyclin
  • pgi2-s
  • prosta-5,13-dien-1-oic acid, 6,9-epithio-11,15-dihydroxy, (5z,9alpha,11alpha,13e,15s)-
  • s-pgi2
CAS Number(s)
  • 64868-63-9
InChIKey ZYMMOTNKRGVMJT-OZUDYXHBSA-N
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