ChemSpider 2D Image | (5Z,12E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,12,17-tetraen-1-oatato | C20H27O4

(5Z,12E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,12,17-tetraen-1-oatato

  • Molecular FormulaC20H27O4
  • Average mass331.427 Da
  • Monoisotopic mass331.191498 Da
  • ChemSpider ID76963185

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z,12E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,12,17-tetraen-1-oat [German] [ACD/IUPAC Name]
(5Z,12E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,12,17-tetraen-1-oatato [ACD/IUPAC Name]
(5Z,12E,15S,17Z)-15-Hydroxy-11-oxoprosta-5,9,12,17-tétraén-1-oate [French] [ACD/IUPAC Name]
Prosta-5,9,12,17-tetraen-1-oato, 15-hydroxy-11-oxo-, ion(1-), (5Z,12E,15S,17Z)- [ACD/Index Name]
(5Z)-7-{(1S,5E)-5-[(3S,5Z)-3-hydroxyoct-5-en-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoate
(5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoate
δ(12)-PGJ3(1-)
δ(12)-prostaglandin J3(1-)
δ-12-PGJ3(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:140288
      A prostaglandin carboxylic acid anion that is the conjugate base of Delta12-prostaglandin J3. obtained by deprotonation of the carboxy group; m; ajor species at pH 7.3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:140288

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 537.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.6±6.0 kJ/mol
Flash Point: 292.7±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 79.15
ACD/KOC (pH 5.5): 464.64
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 7.41
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

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