Found 1 result

Search term: TUXFWOHFPFBNEJ-GJGHEGAFSA-M (Found by InChIKey (full match))
ChemSpider 2D Image | (5Z,12E,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-oate | C20H29O4

(5Z,12E,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-oate

  • Molecular FormulaC20H29O4
  • Average mass333.442 Da
  • Monoisotopic mass333.207123 Da
  • ChemSpider ID58170392

  • 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)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-oat [German] [ACD/IUPAC Name]
(5Z,12E,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-oate [ACD/IUPAC Name]
(5Z,12E,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trién-1-oate [French] [ACD/IUPAC Name]
Prosta-5,9,12-trien-1-oic acid, 15-hydroxy-11-oxo-, ion(1-), (5Z,12E,15S)- [ACD/Index Name]
13,14-dihydro-δ(12)-PGJ2(1-)
13,14-dihydro-δ(12)-prostaglandin J2(1-)
δ(12)-Prostaglandin J2
δ-12-Prostaglandin J2 (1-)
  • Miscellaneous

    • Chemical Class:

      A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-Delta(12)-prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:133424
      A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-Delta12-prostaglandin J2, obtained by deprotonation of the ca; rboxy group; major species at pH 7.3. ChEBI CHEBI:133424

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

Density:
Boiling Point: 531.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.8±6.0 kJ/mol
Flash Point: 289.2±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 156.84
ACD/KOC (pH 5.5): 758.06
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 2.50
ACD/KOC (pH 7.4): 12.09
Polar Surface Area: 77 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement