(2-{(3As,5R,6R,6As)-5-Hydroxy-6-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-1,3A,4,5,6,6A-Hexahydro-2-Pentalenyl}Ethoxy)Acetic Acid

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Properties Simple | Detailed

Formula C20H32O5
IUPAC Name 2-[2-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid
Molecular Mass 352.465 g·mol−1
Heat of Formation -1043.0 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 450.65 Å 3
Surface Area 374.06 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 3.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]acetic acid
  • 2-[2-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]ethoxy]ethanoic acid
  • 3-oxa-9(o)-methano-delta(6(9alpha))-prostaglandin i1
  • 3-oxa-9(o)-methano-delta(6,9)prostaglandin i(1)
  • 3-oxaisocarbacyclin
CAS Number(s)
  • 106402-09-9
InChIKey OXEROCNJZXXLDX-BJNWZJAMSA-N
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