ChemSpider 2D Image | 2-{[(28-Oxo-19,28-epoxyoleanan-3-yl)oxy]carbonyl}benzoic acid | C38H52O6

2-{[(28-Oxo-19,28-epoxyoleanan-3-yl)oxy]carbonyl}benzoic acid

  • Molecular FormulaC38H52O6
  • Average mass604.816 Da
  • Monoisotopic mass604.376404 Da
  • ChemSpider ID4298791

More details:

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

1,2-Benzenedicarboxylic acid, mono(19,28-epoxy-28-oxooleanan-3-yl) ester [ACD/Index Name]
2-{[(28-Oxo-19,28-epoxyoleanan-3-yl)oxy]carbonyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[(28-Oxo-19,28-epoxyoleanan-3-yl)oxy]carbonyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[(28-oxo-19,28-époxyoléanan-3-yl)oxy]carbonyl}benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 700.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 212.3±19.4 °C
Index of Refraction: 1.583
Molar Refractivity: 168.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.68
ACD/LogD (pH 5.5): 7.08
ACD/BCF (pH 5.5): 44121.47
ACD/KOC (pH 5.5): 18551.06
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 4473.85
ACD/KOC (pH 7.4): 1881.05
Polar Surface Area: 90 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 502.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement