Isopropyl (5Z,13E,15S)-15-Hydroxy-9-Oxoprosta-5,10,13-Trien-1-Oate

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Properties Simple | Detailed

Formula C23H36O4
IUPAC Name isopropyl (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopent-3-en-1-yl]hept-5-enoate
Molecular Mass 376.530 g·mol−1
Heat of Formation -819.3 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 519.24 Å 3
Surface Area 402.19 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-keto-1-cyclopent-3-enyl]hept-5-enoic acid isopropyl ester
  • (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoic acid isopropyl ester
  • isopropyl (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoate
  • pga2 isopropyl ester
  • propan-2-yl (z)-7-[(1r,2s)-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]hept-5-enoate
  • prosta-5,10,13-trien-1-oic acid, 15-hydroxy-9-oxo-, 1-methylethyl ester, (5z,13e,15s)-
  • prostaglandin a2 isopropyl ester
CAS Number(s)
  • 114084-85-4
InChIKey MYNMJEGQTXQGKQ-RXMNKVFOSA-N
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