ChemSpider 2D Image | Methyl (9alpha,11alpha,13E)-9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate | C22H36O5

Methyl (9α,11α,13E)-9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate

  • Molecular FormulaC22H36O5
  • Average mass380.518 Da
  • Monoisotopic mass380.256287 Da
  • ChemSpider ID76783622

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(9α,11α,13E)-9,11,15-Trihydroxy-15-méthylprosta-4,5,13-trién-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (9α,11α,13E)-9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oate [ACD/IUPAC Name]
Methyl-(9α,11α,13E)-9,11,15-trihydroxy-15-methylprosta-4,5,13-trien-1-oat [German] [ACD/IUPAC Name]
Prosta-4,5,13-trien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, methyl ester, (9α,11α,13E)- [ACD/Index Name]
54120-61-5 [RN]
Prostalene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 493.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.6±6.0 kJ/mol
Flash Point: 159.4±22.2 °C
Index of Refraction: 1.547
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 257.27
ACD/KOC (pH 5.5): 1849.09
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 257.27
ACD/KOC (pH 7.4): 1849.09
Polar Surface Area: 87 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 347.5±3.0 cm3

Click to predict properties on the Chemicalize site


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