ChemSpider 2D Image | (3beta)-Cholest-5-en-3-yl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate | C39H58O4

(3β)-Cholest-5-en-3-yl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate

  • Molecular FormulaC39H58O4
  • Average mass590.875 Da
  • Monoisotopic mass590.433533 Da
  • ChemSpider ID68151287

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(3β)-Cholest-5-en-3-yl 5-methyl-2-phenyl-1,3-dioxane-5-carboxylate [ACD/IUPAC Name]
(3β)-Cholest-5-en-3-yl-5-methyl-2-phenyl-1,3-dioxan-5-carboxylat [German] [ACD/IUPAC Name]
1,3-Dioxane-5-carboxylic acid, 5-methyl-2-phenyl-, (3β)-cholest-5-en-3-yl ester [ACD/Index Name]
5-Méthyl-2-phényl-1,3-dioxane-5-carboxylate de (3β)-cholest-5-én-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 258.6±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 174.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 13.22
ACD/LogD (pH 5.5): 11.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 45 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 545.9±5.0 cm3

Click to predict properties on the Chemicalize site


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