ChemSpider 2D Image | 3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid | C39H54O6

3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid

  • Molecular FormulaC39H54O6
  • Average mass618.843 Da
  • Monoisotopic mass618.392029 Da
  • ChemSpider ID72390988

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-oic acid [ACD/IUPAC Name]
3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}olean-12-en-28-säure [German] [ACD/IUPAC Name]
Acide 3-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}oléan-12-én-28-oïque [French] [ACD/IUPAC Name]
Olean-12-en-28-oic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]- [ACD/Index Name]
3-O-Caffeoyloleanolic acid
97534-10-6 [RN]
MFCD26406108

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

Density: 1.2±0.1 g/cm3
Boiling Point: 715.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 214.4±26.4 °C
Index of Refraction: 1.599
Molar Refractivity: 175.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 10.97
ACD/LogD (pH 5.5): 9.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 958969.63
ACD/LogD (pH 7.4): 7.43
ACD/BCF (pH 7.4): 57470.59
ACD/KOC (pH 7.4): 14818.13
Polar Surface Area: 104 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 513.6±5.0 cm3

Click to predict properties on the Chemicalize site


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