ChemSpider 2D Image | Methyl (2E,8beta,11beta,12alpha,13E,15S)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-2,13-dien-1-oate | C23H38O5

Methyl (2E,8β,11β,12α,13E,15S)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-2,13-dien-1-oate

  • Molecular FormulaC23H38O5
  • Average mass394.545 Da
  • Monoisotopic mass394.271912 Da
  • ChemSpider ID111311847

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,8β,11β,12α,13E,15S)-11,15-Dihydroxy-16,16-diméthyl-9-oxoprosta-2,13-dién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (2E,8β,11β,12α,13E,15S)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-2,13-dien-1-oate [ACD/IUPAC Name]
Methyl-(2E,8β,11β,12α,13E,15S)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-2,13-dien-1-oat [German] [ACD/IUPAC Name]
Prosta-2,13-dien-1-oic acid, 11,15-dihydroxy-16,16-dimethyl-9-oxo-, methyl ester, (2E,8β,11β,12α,13E,15S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 163.9±23.6 °C
Index of Refraction: 1.533
Molar Refractivity: 113.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 307.21
ACD/KOC (pH 5.5): 2099.48
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 307.21
ACD/KOC (pH 7.4): 2099.48
Polar Surface Area: 84 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 365.3±3.0 cm3

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