(11α,13E,16S)-11,16-Dihydroxy-16-Methyl-9-Oxoprost-13-En-1-Oic Acid

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Properties Simple | Detailed

Formula C21H36O5
IUPAC Name 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
Molecular Mass 368.508 g·mol−1
Heat of Formation -1203.5 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 501.51 Å 3
Surface Area 406.83 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid
InChIKey CNWGPXZGIIOYDL-AGRNYGATSA-N
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