ChemSpider 2D Image | (3beta)-28-Hydroxyurs-12-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C39H56O5

(3β)-28-Hydroxyurs-12-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC39H56O5
  • Average mass604.859 Da
  • Monoisotopic mass604.412781 Da
  • ChemSpider ID9551862

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de (3β)-28-hydroxyurs-12-én-3-yle [French] [ACD/IUPAC Name]
(3β)-28-Hydroxyurs-12-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
(3β)-28-Hydroxyurs-12-en-3-yl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (3β)-28-hydroxyurs-12-en-3-yl ester, (2E)- [ACD/Index Name]
(3β)-28-hydroxyurs-12-en-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
uvaol-3-caffeate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 687.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 204.3±25.0 °C
Index of Refraction: 1.592
Molar Refractivity: 175.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.03
ACD/LogD (pH 5.5): 10.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8117199.00
ACD/LogD (pH 7.4): 10.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 7969561.50
Polar Surface Area: 87 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 52.3±5.0 dyne/cm
Molar Volume: 517.7±5.0 cm3

Click to predict properties on the Chemicalize site


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