ChemSpider 2D Image | 3-Oxo-3-{[3-oxolanosta-7,9(11),24-trien-21-yl]oxy}propanoic acid | C33H48O5

3-Oxo-3-{[3-oxolanosta-7,9(11),24-trien-21-yl]oxy}propanoic acid

  • Molecular FormulaC33H48O5
  • Average mass524.731 Da
  • Monoisotopic mass524.350159 Da
  • ChemSpider ID10187851

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3-Oxo-3-{[3-oxolanosta-7,9(11),24-trien-21-yl]oxy}propanoic acid [ACD/IUPAC Name]
3-Oxo-3-{[3-oxolanosta-7,9(11),24-trien-21-yl]oxy}propansäure [German] [ACD/IUPAC Name]
Acide 3-oxo-3-{[3-oxolanosta-7,9(11),24-trién-21-yl]oxy}propanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, mono[3-oxolanosta-7,9(11),24-trien-21-yl] ester [ACD/Index Name]
Fomitopsic acid B

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

Density: 1.1±0.0 g/cm3
Boiling Point: 651.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±0.0 kJ/mol
Flash Point: 201.2±0.0 °C
Index of Refraction: 1.549
Molar Refractivity: 149.3±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.79
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 6301.57
ACD/KOC (pH 5.5): 3213.13
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 578.36
ACD/KOC (pH 7.4): 294.90
Polar Surface Area: 81 Å2
Polarizability: 59.2±0.0 10-24cm3
Surface Tension: 45.4±0.0 dyne/cm
Molar Volume: 469.2±0.0 cm3

Click to predict properties on the Chemicalize site


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