ChemSpider 2D Image | (5Z,8xi,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid | C22H36O5

(5Z,8ξ,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid

  • Molecular FormulaC22H36O5
  • Average mass380.518 Da
  • Monoisotopic mass380.256287 Da
  • ChemSpider ID21467038

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(5Z,8ξ,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid [ACD/IUPAC Name]
(5Z,8ξ,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-säure [German] [ACD/IUPAC Name]
Acide (5Z,8ξ,13E)-11,15-dihydroxy-16,16-diméthyl-9-oxoprosta-5,13-dién-1-oïque [French] [ACD/IUPAC Name]
Prosta-5,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, (5Z,8ξ,13E)- [ACD/Index Name]
16,16-Dimethyl Prostaglandin E2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 295.2±26.6 °C
Index of Refraction: 1.551
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 11.39
ACD/KOC (pH 5.5): 116.22
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.86
Polar Surface Area: 95 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 339.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement