ChemSpider 2D Image | (3alpha,16alpha)-3,16,25-Trihydroxy-24-methylenelanost-8-en-21-oic acid | C31H50O5

(3α,16α)-3,16,25-Trihydroxy-24-methylenelanost-8-en-21-oic acid

  • Molecular FormulaC31H50O5
  • Average mass502.726 Da
  • Monoisotopic mass502.365814 Da
  • ChemSpider ID78436676

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3α,16α)-3,16,25-Trihydroxy-24-methylenelanost-8-en-21-oic acid [ACD/IUPAC Name]
(3α,16α)-3,16,25-Trihydroxy-24-methylenlanost-8-en-21-säure [German] [ACD/IUPAC Name]
Acide (3α,16α)-3,16,25-trihydroxy-24-méthylènelanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)- [ACD/Index Name]
25-hydroxy-3-epitumulosic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 635.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.6±6.0 kJ/mol
Flash Point: 352.0±28.0 °C
Index of Refraction: 1.562
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2158.88
ACD/KOC (pH 5.5): 4399.75
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 33.94
ACD/KOC (pH 7.4): 69.17
Polar Surface Area: 98 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 439.5±5.0 cm3

Click to predict properties on the Chemicalize site


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