5-{(3Ar,4R,5R,6As)-5-Hydroxy-4-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-3,3A,4,5,6,6A-Hexahydrocyclopenta[B]Pyrrol-2-Yl}Pentanoic Acid

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Properties Simple | Detailed

Formula C20H33NO4
IUPAC Name 5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-2-yl]pentanoic acid
Molecular Mass 351.480 g·mol−1
Heat of Formation -878.7 ± 16.7 kJ·mol−1
Dipole Moment 2.17 ± 1.08 D
Volume 473.33 Å 3
Surface Area 413.88 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]pyrrol-2-yl]pentanoic acid
  • 5-[(3ar,4r,5r,6as)-5-hydroxy-4-[(e,3s)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]pyrrol-2-yl]valeric acid
  • 9-deoxy-9 alpha,6-nitrilo-pgf1alpha hydrochloride
  • cyclopenta(b)pyrrole-2-pentanoic acid, 3,3a,4,5,6,6a-hexahydro-5-hydroxy-4-(3-hydroxy-1-octenyl)-, (3ar-(3aalpha,4alpha(1e,3s*),5beta,6aalpha))-
  • nitrilo-pgi2
  • nitriloprostaglandin i2
CAS Number(s)
  • 67496-60-0
InChIKey UWNHUGLBZPBSGW-RFMDEJACSA-N
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