ChemSpider 2D Image | (5xi,9xi,13xi,17xi,18xi,19xi)-3-(Carboxyoxy)lup-20(29)-en-28-oic acid | C31H48O5

(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-(Carboxyoxy)lup-20(29)-en-28-oic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID81422847

  • defined stereocentres - 3 of 10 defined stereocentres

More details:

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

(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-(Carboxyoxy)lup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-(Carboxyoxy)lup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)-3-(carboxyoxy)lup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-(carboxyoxy)-, (5ξ,9ξ,13ξ,17ξ,18ξ,19ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 96.4±6.0 kJ/mol
Flash Point: 182.8±24.2 °C
Index of Refraction: 1.554
Molar Refractivity: 139.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.43
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 3396.17
ACD/KOC (pH 5.5): 2179.05
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 23.51
ACD/KOC (pH 7.4): 15.08
Polar Surface Area: 84 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 436.5±5.0 cm3

Click to predict properties on the Chemicalize site


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