ChemSpider 2D Image | (5xi,9xi,13xi,17xi,18xi,19xi)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate | C40H58O4

(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID71299259

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(2E)-3-(4-Méthoxyphényl)acrylate de (5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-hydroxylup-20(29)-én-28-yle [French] [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-yl (2E)-3-(4-methoxyphenyl)acrylate [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-Hydroxylup-20(29)-en-28-yl-(2E)-3-(4-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-methoxyphenyl)-, (5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-hydroxylup-20(29)-en-28-yl ester, (2E)- [ACD/Index 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: 667.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 195.4±18.1 °C
Index of Refraction: 1.549
Molar Refractivity: 180.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.85
ACD/LogD (pH 5.5): 9.72
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4635806.50
ACD/LogD (pH 7.4): 9.72
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4635806.50
Polar Surface Area: 56 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 567.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement