ChemSpider 2D Image | (5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oate | C20H27O3

(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oate

  • Molecular FormulaC20H27O3
  • Average mass315.427 Da
  • Monoisotopic mass315.196564 Da
  • ChemSpider ID34999620

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oat [German] [ACD/IUPAC Name]
(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oate [ACD/IUPAC Name]
(5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tétraén-1-oate [French] [ACD/IUPAC Name]
Prosta-5,9,12,14-tetraen-1-oic acid, 11-oxo-, ion(1-), (5Z,12E,14E)- [ACD/Index Name]
11-oxo-5Z,9,12E,14E-prostatetraenoate(1-)
15-deoxy-δ(12,14)-prostaglandin J2
15-deoxy-δ(12,14)-prostaglandin J2(1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J2. obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:85236
      A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta12,14-prostaglandin J2. obtained by deprotonation of the carb; oxy group; major species at pH 7.3. ChEBI CHEBI:85236

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

Density:
Boiling Point: 495.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.6±6.0 kJ/mol
Flash Point: 267.8±22.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1150.77
ACD/KOC (pH 5.5): 3156.83
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 18.36
ACD/KOC (pH 7.4): 50.36
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

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