ChemSpider 2D Image | (3beta,16beta)-16-Hydroxylup-20(29)-en-3-yl myristate | C44H76O3

(3β,16β)-16-Hydroxylup-20(29)-en-3-yl myristate

  • Molecular FormulaC44H76O3
  • Average mass653.072 Da
  • Monoisotopic mass652.579468 Da
  • ChemSpider ID114811070

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3β,16β)-16-Hydroxylup-20(29)-en-3-yl myristate [ACD/IUPAC Name]
(3β,16β)-16-Hydroxylup-20(29)-en-3-ylmyristat [German] [ACD/IUPAC Name]
Myristate de (3β,16β)-16-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
Tetradecanoic acid, (3β,16β)-16-hydroxylup-20(29)-en-3-yl ester [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: 662.5±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±6.0 kJ/mol
Flash Point: 225.9±19.5 °C
Index of Refraction: 1.521
Molar Refractivity: 198.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 16.24
ACD/LogD (pH 5.5): 14.54
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.54
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 47 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 651.8±5.0 cm3

Click to predict properties on the Chemicalize site


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