ChemSpider 2D Image | 4-{[(3beta)-30-Methoxy-11,30-dioxoolean-12-en-3-yl]oxy}-4-oxobutanoic acid | C35H52O7

4-{[(3β)-30-Methoxy-11,30-dioxoolean-12-en-3-yl]oxy}-4-oxobutanoic acid

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID28664391

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

4-{[(3β)-30-Methoxy-11,30-dioxoolean-12-en-3-yl]oxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{[(3β)-30-Methoxy-11,30-dioxoolean-12-en-3-yl]oxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{[(3β)-30-méthoxy-11,30-dioxooléan-12-én-3-yl]oxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β)-30-methoxy-11,30-dioxoolean-12-en-3-yl] ester [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: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±6.0 kJ/mol
Flash Point: 198.0±25.0 °C
Index of Refraction: 1.549
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.51
ACD/LogD (pH 5.5): 6.38
ACD/BCF (pH 5.5): 22130.60
ACD/KOC (pH 5.5): 21408.91
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 352.92
ACD/KOC (pH 7.4): 341.41
Polar Surface Area: 107 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 500.2±5.0 cm3

Click to predict properties on the Chemicalize site


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