ChemSpider 2D Image | (16alpha)-16,25-Dihydroxy-24-methylene-3-oxolanost-8-en-21-oic acid | C31H48O5

(16α)-16,25-Dihydroxy-24-methylene-3-oxolanost-8-en-21-oic acid

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID78438674

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(16α)-16,25-Dihydroxy-24-methylen-3-oxolanost-8-en-21-säure [German] [ACD/IUPAC Name]
(16α)-16,25-Dihydroxy-24-methylene-3-oxolanost-8-en-21-oic acid [ACD/IUPAC Name]
Acide (16α)-16,25-dihydroxy-24-méthylène-3-oxolanost-8-én-21-oïque [French] [ACD/IUPAC Name]
Lanost-8-en-21-oic acid, 16,25-dihydroxy-24-methylene-3-oxo-, (16α)- [ACD/Index Name]
16α,25-dihydroxyeburiconic 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: 634.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 107.4±6.0 kJ/mol
Flash Point: 351.3±28.0 °C
Index of Refraction: 1.557
Molar Refractivity: 141.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1142.37
ACD/KOC (pH 5.5): 2796.21
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 17.96
ACD/KOC (pH 7.4): 43.95
Polar Surface Area: 95 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 438.4±5.0 cm3

Click to predict properties on the Chemicalize site


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