Bay Q 4218

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Properties Simple | Detailed

Formula C24H40O5
IUPAC Name methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxo-cyclopentyl]heptanoate
Molecular Mass 408.571 g·mol−1
Heat of Formation -1091.2 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 554.99 Å 3
Surface Area 477.07 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r)-3-hydroxy-2-[(1e,4r)-4-hydroxy-4-(1-propylcyclobutyl)-1-butenyl]-5-oxo-cyclopentaneheptanoic acid methyl ester
  • (r)-butaprost
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-keto-cyclopentyl]enanthic acid methyl ester
  • 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester
  • butaprost
  • butaprost (usan)
  • butaprostum [latin]
  • cyclopentaneheptanoic acid, 3-hydroxy-2-(4-hydroxy-4-(1-propylcyclobutyl)-1-butenyl)-5-oxo-, methyl ester, (1r-(1alpha,2beta(1e,4r*),3alpha))-
  • d03187
  • methyl (13e,16r)-11alpha,16-dihydroxy-9-oxo-17,17-trimethyleneprost-13-en-1-oate
  • methyl (1r,2r,3r)-3-hydroxy-2-((1e,4r)-4-hydroxy-4-(1-propylcyclobutyl)-1-butenyl)-5-oxocyclopentaneheptanoate
  • methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxo-cyclopentyl]heptanoate
  • methyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,4r)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoate
  • pdsp2_001674
  • tr-4979
CAS Number(s)
  • 69648-38-0
InChIKey XRISENIKJUKIHD-LHQZMKCDSA-N
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