Methyl (5Z,9α,13E,15S)-9,15-Dihydroxy-11-Oxoprosta-5,13-Dien-1-Oate

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Properties Simple | Detailed

Formula C21H34O5
IUPAC Name methyl (z)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoate
Molecular Mass 366.492 g·mol−1
Heat of Formation -1047.1 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 491.14 Å 3
Surface Area 371.09 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-keto-cyclopentyl]hept-5-enoic acid methyl ester
  • (z)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid methyl ester
  • methyl (z)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxo-cyclopentyl]hept-5-enoate
  • methyl (z)-7-[(1r,2r,5s)-5-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoate
  • pgd2 me
  • pgd2 methyl ester
  • prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, methyl ester, (5z,9alpha,13e,15s)-
  • prostaglandin d2 methyl ester
CAS Number(s)
  • 49852-81-5
InChIKey WNBMQMMGBBWUOZ-BYNKDMOPSA-N
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