Remiprostol

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Properties Simple | Detailed

Formula C25H36O5
IUPAC Name methyl (e)-7-[(1s,2r,3r)-2-[(1e,4r,5e)-6-(cyclopenten-1-yl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-oxo-cyclopentyl]hept-4-enoate
Molecular Mass 416.550 g·mol−1
Heat of Formation -942.6 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 548.66 Å 3
Surface Area 392.6 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-7-[(1s,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-keto-cyclopentyl]hept-4-enoic acid methyl ester
  • (e)-7-[(1s,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoic acid methyl ester
  • methyl (e)-7-[(1s,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methyl-hexa-1,5-dienyl]-3-hydroxy-5-oxo-cyclopentyl]hept-4-enoate
  • methyl (e)-7-[(1s,2r,3r)-2-[(1e,4r,5e)-6-(1-cyclopentenyl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
  • pdsp1_000077
InChIKey ZZVPHCPLTZTOBC-FHGMZTNMSA-N
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