ChemSpider 2D Image | (3beta)-3-[(3-Carboxypropanoyl)oxy]lup-20(29)-en-28-oic acid | C34H52O6

(3β)-3-[(3-Carboxypropanoyl)oxy]lup-20(29)-en-28-oic acid

  • Molecular FormulaC34H52O6
  • Average mass556.773 Da
  • Monoisotopic mass556.376404 Da
  • ChemSpider ID8590761

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-[(3-Carboxypropanoyl)oxy]lup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-[(3-Carboxypropanoyl)oxy]lup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-[(3-carboxypropanoyl)oxy]lup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β)-28-hydroxy-28-oxolup-20(29)-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: 650.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±6.0 kJ/mol
Flash Point: 197.9±20.8 °C
Index of Refraction: 1.552
Molar Refractivity: 153.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.45
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 10973.36
ACD/KOC (pH 5.5): 6976.66
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 25.89
ACD/KOC (pH 7.4): 16.46
Polar Surface Area: 101 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 481.5±5.0 cm3

Click to predict properties on the Chemicalize site


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