ChemSpider 2D Image | Methyl 12-[(5-bromopentanoyl)oxy]podocarpa-8,11,13-trien-16-oate | C23H31BrO4

Methyl 12-[(5-bromopentanoyl)oxy]podocarpa-8,11,13-trien-16-oate

  • Molecular FormulaC23H31BrO4
  • Average mass451.394 Da
  • Monoisotopic mass450.140564 Da
  • ChemSpider ID59007940

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

12-[(5-Bromopentanoyl)oxy]podocarpa-8,11,13-trién-16-oate de méthyle [French] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 6-[(5-bromo-1-oxopentyl)oxy]-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-, methyl ester, (1S,4aS,10aR)- [ACD/Index Name]
Methyl 12-[(5-bromopentanoyl)oxy]podocarpa-8,11,13-trien-16-oate [ACD/IUPAC Name]
Methyl-12-[(5-brompentanoyl)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: 1.3±0.1 g/cm3
Boiling Point: 511.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.4±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 112.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38264.71
ACD/KOC (pH 5.5): 66366.73
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38264.71
ACD/KOC (pH 7.4): 66366.73
Polar Surface Area: 53 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 359.4±3.0 cm3

Click to predict properties on the Chemicalize site


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