ChemSpider 2D Image | (12beta)-12-Acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oic acid | C29H38O8

(12β)-12-Acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oic acid

  • Molecular FormulaC29H38O8
  • Average mass514.607 Da
  • Monoisotopic mass514.256653 Da
  • ChemSpider ID82951764

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(12β)-12-Acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-oic acid [ACD/IUPAC Name]
(12β)-12-Acetoxy-4,4,14-trimethyl-3,7,11,15-tetraoxochol-8-en-24-säure [German] [ACD/IUPAC Name]
Acide (12β)-12-acétoxy-4,4,14-triméthyl-3,7,11,15-tétraoxochol-8-én-24-oïque [French] [ACD/IUPAC Name]
Chol-8-en-24-oic acid, 12-(acetyloxy)-4,4,14-trimethyl-3,7,11,15-tetraoxo-, (12β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±6.0 kJ/mol
Flash Point: 213.1±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 17.28
ACD/KOC (pH 5.5): 153.07
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.43
Polar Surface Area: 132 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 409.3±5.0 cm3

Click to predict properties on the Chemicalize site


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