Found 28 results

Search term: MF = 'C_{39}H_{52}O_{7}'
ChemSpider 2D Image | (3alpha)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-11-oxours-12-en-24-oic acid | C39H52O7

(3α)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-11-oxours-12-en-24-oic acid

  • Molecular FormulaC39H52O7
  • Average mass632.826 Da
  • Monoisotopic mass632.371277 Da
  • ChemSpider ID8304837

  • 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

(3α)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-11-oxours-12-en-24-oic acid [ACD/IUPAC Name]
(3α)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-11-oxours-12-en-24-säure [German] [ACD/IUPAC Name]
Acide (3α)-3-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-11-oxours-12-én-24-oïque [French] [ACD/IUPAC Name]
Urs-12-en-24-oic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11-oxo-, (3α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 751.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.9±3.0 kJ/mol
Flash Point: 227.2±26.4 °C
Index of Refraction: 1.603
Molar Refractivity: 175.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 64516.80
ACD/KOC (pH 5.5): 38801.98
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 1104.92
ACD/KOC (pH 7.4): 664.53
Polar Surface Area: 121 Å2
Polarizability: 69.6±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 511.1±5.0 cm3

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