ChemSpider 2D Image | (3beta,16beta)-16-Hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)acrylate | C39H56O4

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

  • Molecular FormulaC39H56O4
  • Average mass588.859 Da
  • Monoisotopic mass588.417847 Da
  • ChemSpider ID17283630

  • 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-Hydroxyphényl)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-hydroxyphenyl)acrylate [ACD/IUPAC Name]
(3β,16β)-16-Hydroxylup-20(29)-en-3-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, (3β,16β)-16-hydroxylup-20(29)-en-3-yl ester, (2E)- [ACD/Index Name]
(3β,16β)-16-hydroxylup-20(29)-en-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
(3-β,16-β)-16-hydroxylup-20(29)-en-3-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453161/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 192.8±20.8 °C
Index of Refraction: 1.577
Molar Refractivity: 173.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.33
ACD/LogD (pH 5.5): 9.86
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5508333.00
ACD/LogD (pH 7.4): 9.86
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5480180.00
Polar Surface Area: 67 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 523.5±5.0 cm3

Click to predict properties on the Chemicalize site


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