ChemSpider 2D Image | (3beta)-3-(4-Pentenoyloxy)lup-20(29)-en-28-oic acid | C35H54O4

(3β)-3-(4-Pentenoyloxy)lup-20(29)-en-28-oic acid

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID24634271

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-3-(4-Pentenoyloxy)lup-20(29)-en-28-oic acid [ACD/IUPAC Name]
(3β)-3-(4-Pentenoyloxy)lup-20(29)-en-28-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-(4-pentenoyloxy)lup-20(29)-én-28-oïque [French] [ACD/IUPAC Name]
Lup-20(29)-en-28-oic acid, 3-[(1-oxo-4-penten-1-yl)oxy]-, (3β)- [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: 586.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.7±6.0 kJ/mol
Flash Point: 172.6±18.9 °C
Index of Refraction: 1.540
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 11.11
ACD/LogD (pH 5.5): 9.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 709371.06
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 39253.45
ACD/KOC (pH 7.4): 11149.71
Polar Surface Area: 64 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 498.9±5.0 cm3

Click to predict properties on the Chemicalize site


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