ChemSpider 2D Image | (3beta,16alpha)-3,16,29-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid | C31H48O5

(3β,16α)-3,16,29-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID78437474

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,16α)-3,16,29-Trihydroxy-24-methylenelanosta-7,9(11)-dien-21-oic acid [ACD/IUPAC Name]
(3β,16α)-3,16,29-Trihydroxy-24-methylenlanosta-7,9(11)-dien-21-säure [German] [ACD/IUPAC Name]
Acide (3β,16α)-3,16,29-trihydroxy-24-méthylènelanosta-7,9(11)-dién-21-oïque [French] [ACD/IUPAC Name]
Lanosta-7,9(11)-dien-21-oic acid, 3,16,29-trihydroxy-24-methylene-, (3β,16α)- [ACD/Index Name]
29-hydroxydehydrotumulosic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 658.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 365.8±28.0 °C
Index of Refraction: 1.572
Molar Refractivity: 142.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 563.41
ACD/KOC (pH 5.5): 1689.20
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 8.85
ACD/KOC (pH 7.4): 26.55
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 433.0±5.0 cm3

Click to predict properties on the Chemicalize site


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