ChemSpider 2D Image | Methyl 12-[(2-fluoropropanoyl)oxy]podocarpa-8,11,13-trien-16-oate | C21H27FO4

Methyl 12-[(2-fluoropropanoyl)oxy]podocarpa-8,11,13-trien-16-oate

  • Molecular FormulaC21H27FO4
  • Average mass362.435 Da
  • Monoisotopic mass362.189331 Da
  • ChemSpider ID59008097

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

12-[(2-Fluoropropanoyl)oxy]podocarpa-8,11,13-trién-16-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 6-(2-fluoro-1-oxopropoxy)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester, (1S,4aS,10aR)- [ACD/Index Name]
Methyl 12-[(2-fluoropropanoyl)oxy]podocarpa-8,11,13-trien-16-oate [ACD/IUPAC Name]
Methyl-12-[(2-fluorpropanoyl)oxy]podocarpa-8,11,13-trien-16-oat [German] [ACD/IUPAC 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: 431.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 207.4±23.6 °C
Index of Refraction: 1.513
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5309.17
ACD/KOC (pH 5.5): 16142.33
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5309.17
ACD/KOC (pH 7.4): 16142.33
Polar Surface Area: 53 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 319.0±3.0 cm3

Click to predict properties on the Chemicalize site


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