ChemSpider 2D Image | (3beta,19xi)-Lup-20(29)-en-3-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate | C40H58O4

(3β,19ξ)-Lup-20(29)-en-3-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate

  • Molecular FormulaC40H58O4
  • Average mass602.886 Da
  • Monoisotopic mass602.433533 Da
  • ChemSpider ID57641887
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres


More details:






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

(2E)-3-(3-Hydroxy-4-méthoxyphényl)acrylate de (3β,19ξ)-lup-20(29)-én-3-yle [French] [ACD/IUPAC Name]
(3β,19ξ)-Lup-20(29)-en-3-yl (2E)-3-(3-hydroxy-4-methoxyphenyl)acrylate [ACD/IUPAC Name]
(3β,19ξ)-Lup-20(29)-en-3-yl-(2E)-3-(3-hydroxy-4-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-hydroxy-4-methoxyphenyl)-, (3β,19ξ)-lup-20(29)-en-3-yl ester, (2E)- [ACD/Index Name]
20(29)-lupene-3[β]-isoferulate
816429-13-7 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 661.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 193.1±22.2 °C
Index of Refraction: 1.566
Molar Refractivity: 178.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 13.02
ACD/LogD (pH 5.5): 11.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.65
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 56 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 547.2±5.0 cm3

Click to predict properties on the Chemicalize site






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