ChemSpider 2D Image | 5-[(3beta,9xi)-Lupa-12,20(29)-dien-3-yloxy]-5-oxopentanoic acid | C35H54O4

5-[(3β,9ξ)-Lupa-12,20(29)-dien-3-yloxy]-5-oxopentanoic acid

  • Molecular FormulaC35H54O4
  • Average mass538.801 Da
  • Monoisotopic mass538.402222 Da
  • ChemSpider ID8384544

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

5-[(3β,9ξ)-Lupa-12,20(29)-dien-3-yloxy]-5-oxopentanoic acid [ACD/IUPAC Name]
5-[(3β,9ξ)-Lupa-12,20(29)-dien-3-yloxy]-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-[(3β,9ξ)-lupa-12,20(29)-dién-3-yloxy]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, mono[(3β,9ξ)-lupa-12,20(29)-dien-3-yl] ester [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: 614.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 183.7±25.0 °C
Index of Refraction: 1.544
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: 11.45
ACD/LogD (pH 5.5): 9.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 741836.88
ACD/LogD (pH 7.4): 7.25
ACD/BCF (pH 7.4): 41486.93
ACD/KOC (pH 7.4): 11663.25
Polar Surface Area: 64 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 496.1±5.0 cm3

Click to predict properties on the Chemicalize site


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