ChemSpider 2D Image | Methyl (8beta,12alpha,13E,15R)-15-hydroxy-9-oxoprost-13-en-1-oate | C21H36O4

Methyl (8β,12α,13E,15R)-15-hydroxy-9-oxoprost-13-en-1-oate

  • Molecular FormulaC21H36O4
  • Average mass352.508 Da
  • Monoisotopic mass352.261353 Da
  • ChemSpider ID113598570

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8β,12α,13E,15R)-15-Hydroxy-9-oxoprost-13-én-1-oate de méthyle [French] [ACD/IUPAC Name]
Methyl (8β,12α,13E,15R)-15-hydroxy-9-oxoprost-13-en-1-oate [ACD/IUPAC Name]
Methyl-(8β,12α,13E,15R)-15-hydroxy-9-oxoprost-13-en-1-oat [German] [ACD/IUPAC Name]
Prost-13-en-1-oic acid, 15-hydroxy-9-oxo-, methyl ester, (8β,12α,13E,15R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 467.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 152.0±18.1 °C
Index of Refraction: 1.512
Molar Refractivity: 102.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 1274.08
ACD/KOC (pH 5.5): 5811.63
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 1274.08
ACD/KOC (pH 7.4): 5811.63
Polar Surface Area: 64 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 341.6±3.0 cm3

Click to predict properties on the Chemicalize site


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