ChemSpider 2D Image | (3alpha)-3-Acetoxy-22-oxolanosta-8,24-dien-21-oic acid | C32H48O5

(3α)-3-Acetoxy-22-oxolanosta-8,24-dien-21-oic acid

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID58825951

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α)-3-Acetoxy-22-oxolanosta-8,24-dien-21-oic acid [ACD/IUPAC Name]
(3α)-3-Acetoxy-22-oxolanosta-8,24-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3α)-3-acétoxy-22-oxolanosta-8,24-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-21-oic acid, 3-(acetyloxy)-22-oxo-, (3α)- [ACD/Index Name]
tsugaric acid D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.3±6.0 kJ/mol
Flash Point: 182.5±23.6 °C
Index of Refraction: 1.541
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 4472.42
ACD/KOC (pH 5.5): 3321.44
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 189.48
ACD/KOC (pH 7.4): 140.72
Polar Surface Area: 81 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 460.4±5.0 cm3

Click to predict properties on the Chemicalize site


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