ChemSpider 2D Image | (22S,24E)-22-Acetoxy-3-oxolanosta-8,24-dien-26-oic acid | C32H48O5

(22S,24E)-22-Acetoxy-3-oxolanosta-8,24-dien-26-oic acid

  • Molecular FormulaC32H48O5
  • Average mass512.721 Da
  • Monoisotopic mass512.350159 Da
  • ChemSpider ID58914779

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(22S,24E)-22-Acetoxy-3-oxolanosta-8,24-dien-26-oic acid [ACD/IUPAC Name]
(22S,24E)-22-Acetoxy-3-oxolanosta-8,24-dien-26-säure [German] [ACD/IUPAC Name]
Acide (22S,24E)-22-acétoxy-3-oxolanosta-8,24-dién-26-oïque [French] [ACD/IUPAC Name]
Lanosta-8,24-dien-26-oic acid, 22-(acetyloxy)-3-oxo-, (22S,24E)- [ACD/Index Name]
Astraodoric acid A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 100.2±6.0 kJ/mol
Flash Point: 190.6±25.0 °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: 8.14
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 31923.07
ACD/KOC (pH 5.5): 35544.32
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 517.86
ACD/KOC (pH 7.4): 576.60
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


Advertisement