Isocarbacyclin

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Properties Simple | Detailed

Formula C22H36O4
IUPAC Name methyl 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
Molecular Mass 364.519 g·mol−1
Heat of Formation -907.0 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 497.42 Å 3
Surface Area 374.36 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-methyl-(3as,5r,6r,6as)-1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-((e)-(3s)-3-hydroxy-1-octenyl)-2-pentalenevalerate
  • 2-pentalenepentanoic acid, 1,3a,4,5,6,6a-hexahydro-5-hydroxy-6-(3-hydroxy-1-octenyl)-, methyl ester, (3as-(3a-alpha,5-beta,6-alpha(1e,3r*),6a-alpha))-
  • 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoic acid methyl ester
  • 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]valeric acid methyl ester
  • arteon
  • clinprost
  • isocarbacyclin methyl ester
  • lipo pgi2
  • lipo-isocarbacyclin methyl ester
  • lipocurren
  • methyl 5-[(3as,5r,6r,6as)-5-hydroxy-6-[(e,3s)-3-hydroxyoct-1-enyl]-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanoate
  • tei 9090
  • tei-9090
  • ttc 909
  • ttc-909
CAS Number(s)
  • 88931-51-5
InChIKey QIGRQPVOWVHYBT-KABTVRTISA-N
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