ChemSpider 2D Image | (3beta,16beta)-16-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | C40H58O5

(3β,16β)-16-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

  • Molecular FormulaC40H58O5
  • Average mass618.885 Da
  • Monoisotopic mass618.428406 Da
  • ChemSpider ID4476224

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(2E)-3-(4-Hydroxy-3-méthoxyphényl)acrylate de (3β,16β)-16-hydroxylup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
(3β,16β)-16-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate [ACD/IUPAC Name]
(3β,16β)-16-Hydroxylup-20(29)-en-3-yl-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, (3β,16β)-16-hydroxylup-20(29)-en-3-yl ester, (2E)- [ACD/Index Name]
3β-trans-Feruloyloxy-16β-hydroxylup-20(29)-ene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 674.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 197.0±23.6 °C
Index of Refraction: 1.575
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 11.10
ACD/LogD (pH 5.5): 9.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4472868.50
ACD/LogD (pH 7.4): 9.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4452754.00
Polar Surface Area: 76 Å2
Polarizability: 71.3±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 545.0±5.0 cm3

Click to predict properties on the Chemicalize site


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