Methyl (5Z)-7-{(1R,2S,3R,5S)-2-[(3R)-5-Cyclohexyl-3-Hydroxy-1-Pentyn-1-Yl]-3,5-Dihydroxycyclopentyl}-5-Heptenoate

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Properties Simple | Detailed

Formula C24H38O5
IUPAC Name methyl (z)-7-[(1r,2s,3r,5s)-2-[(3r)-5-cyclohexyl-3-hydroxy-pent-1-ynyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
Molecular Mass 406.556 g·mol−1
Heat of Formation -947.2 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 541.23 Å 3
Surface Area 423.38 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-7-[(1r,2s,3r,5s)-2-[(3r)-5-cyclohexyl-3-hydroxy-pent-1-ynyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoic acid methyl ester
  • (z)-7-[(1r,2s,3r,5s)-2-[(3r)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid methyl ester
  • alfaprostol (usan/inn)
  • d02806
  • gabbrostim
  • methyl (z)-7-[(1r,2s,3r,5s)-2-[(3r)-5-cyclohexyl-3-hydroxy-pent-1-ynyl]-3,5-dihydroxy-cyclopentyl]hept-5-enoate
  • methyl (z)-7-[(1r,2s,3r,5s)-2-[(3r)-5-cyclohexyl-3-hydroxypent-1-ynyl]-3,5-dihydroxycyclopentyl]hept-5-enoate
InChIKey OZDSQCVLNUIYLN-CUTZLATDSA-N
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