(11R,16S)-Misoprostol

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Properties Simple | Detailed

Formula C22H38O5
IUPAC Name methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate
Molecular Mass 382.534 g·mol−1
Heat of Formation -1180.4 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 521.33 Å 3
Surface Area 426.95 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.83 ± 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 methyl ester
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester
  • methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate
  • methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4s)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate
  • sc-30249
InChIKey OJLOPKGSLYJEMD-YCVNZHGXSA-N
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