ChemSpider 2D Image | (2Z,5xi,9xi,13xi,17xi,18xi)-2-(2-Furylmethylene)-3-oxolup-20(29)-en-28-oic acid | C35H48O4

(2Z,5ξ,9ξ,13ξ,17ξ,18ξ)-2-(2-Furylmethylene)-3-oxolup-20(29)-en-28-oic acid

  • Molecular FormulaC35H48O4
  • Average mass532.753 Da
  • Monoisotopic mass532.355286 Da
  • ChemSpider ID21781522

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 9 defined stereocentres

More details:

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

(2Z,5ξ,9ξ,13ξ,17ξ,18ξ)-2-(2-Furylmethylen)-3-oxolup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
(2Z,5ξ,9ξ,13ξ,17ξ,18ξ)-2-(2-Furylmethylene)-3-oxolup-20(29)-en-28-oic acid [ACD/IUPAC Name]
Acide (2Z,5ξ,9ξ,13ξ,17ξ,18ξ)-2-(2-furylméthylène)-3-oxolup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 2-(2-furanylmethylene)-3-oxo-, (2Z,5ξ,9ξ,13ξ,17ξ,18ξ)- [ACD/Index Name]
(1R,5AR,5BR,10Z,11AR)-10-(FURAN-2-YLMETHYLIDENE)-5A,5B,8,8,11A-PENTAMETHYL-9-OXO-1-PROP-1-EN-2-YL-1,2,3,4,5,6,7,7A,11,11B,12,13,13A,13B-TETRADECAHYDROCYCLOPENTA[A]CHRYSENE-3A-CARBOXYLIC ACID

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 332.6±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 154.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 10.34
ACD/LogD (pH 5.5): 8.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 389856.44
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 16825.40
ACD/KOC (pH 7.4): 6130.47
Polar Surface Area: 68 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 478.9±3.0 cm3

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