ChemSpider 2D Image | (5E,12Z,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid | C20H30O4

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

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID31044566
  • 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

(5E,12Z,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid [ACD/IUPAC Name]
(5E,12Z,15S)-15-Hydroxy-11-oxoprosta-5,9,12-trien-1-säure [German] [ACD/IUPAC Name]
Acide (5E,12Z,15S)-15-hydroxy-11-oxoprosta-5,9,12-trién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,9,12-trien-1-oic acid, 15-hydroxy-11-oxo-, (5E,12Z,15S)- [ACD/Index Name]
7-[(1S)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
87893-54-7 [RN]
δ12-prostaglandin J2
δ-12-Prostaglandin J2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
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: 1.558
Molar Refractivity: 97.1±0.3 cm3
#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: 75 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement