ChemSpider 2D Image | (8xi,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprost-13-en-1-oic acid | C22H38O5

(8ξ,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprost-13-en-1-oic acid

  • Molecular FormulaC22H38O5
  • Average mass382.534 Da
  • Monoisotopic mass382.271912 Da
  • ChemSpider ID21467012
  • 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

(8ξ,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprost-13-en-1-oic acid [ACD/IUPAC Name]
(8ξ,13E)-11,15-Dihydroxy-16,16-dimethyl-9-oxoprost-13-en-1-säure [German] [ACD/IUPAC Name]
Acide (8ξ,13E)-11,15-dihydroxy-16,16-diméthyl-9-oxoprost-13-én-1-oïque [French] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, (8ξ,13E)- [ACD/Index Name]
16,16-dimethyl Prostaglandin E1
41692-15-3 [RN]
9-oxo-11?,15R-dihydroxy-16,16-dimethyl-prost-13E-en-1-oic acid
9-oxo-11α,15R-dihydroxy-16,16-dimethyl-prost-13E-en-1-oic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 540.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.1±6.0 kJ/mol
Flash Point: 295.0±26.6 °C
Index of Refraction: 1.539
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 23.75
ACD/KOC (pH 5.5): 198.92
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.19
Polar Surface Area: 95 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 346.3±3.0 cm3

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