ChemSpider 2D Image | 3-[4-(1-Carboxycyclopropyl)phenyl]lupa-2,20(29)-dien-28-oic acid | C40H54O4

3-[4-(1-Carboxycyclopropyl)phenyl]lupa-2,20(29)-dien-28-oic acid

  • Molecular FormulaC40H54O4
  • Average mass598.854 Da
  • Monoisotopic mass598.402222 Da
  • ChemSpider ID34533674
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

3-[4-(1-Carboxycyclopropyl)phenyl]lupa-2,20(29)-dien-28-oic acid [ACD/IUPAC Name]
3-[4-(1-Carboxycyclopropyl)phenyl]lupa-2,20(29)-dien-28-säure [German] [ACD/IUPAC Name]
Acide 3-[4-(1-carboxycyclopropyl)phényl]lupa-2,20(29)-dién-28-oïque [French] [ACD/IUPAC Name]
Lupa-2,20(29)-dien-28-oic acid, 3-[4-(1-carboxycyclopropyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 692.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 386.7±28.0 °C
Index of Refraction: 1.574
Molar Refractivity: 173.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 11.28
ACD/LogD (pH 5.5): 8.40
ACD/BCF (pH 5.5): 449703.19
ACD/KOC (pH 5.5): 98269.72
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 1104.88
ACD/KOC (pH 7.4): 241.44
Polar Surface Area: 75 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 526.0±3.0 cm3

Click to predict properties on the Chemicalize site






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