ChemSpider 2D Image | (3beta)-3-Hydroxy-7-oxo(27,27,27-~2~H_3_)cholest-5-en-26-oic acid | C27H39D3O4

(3β)-3-Hydroxy-7-oxo(27,27,27-2H3)cholest-5-en-26-oic acid

  • Molecular FormulaC27H39D3O4
  • Average mass433.638 Da
  • Monoisotopic mass433.327148 Da
  • ChemSpider ID115010699

  • defined stereocentres - 8 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β)-3-Hydroxy-7-oxo(27,27,27-2H3)cholest-5-en-26-oic acid [ACD/IUPAC Name]
(3β)-3-Hydroxy-7-oxo(27,27,27-2H3)cholest-5-en-26-säure [German] [ACD/IUPAC Name]
Acide (3β)-3-hydroxy-7-oxo(27,27,27-2H3)cholest-5-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-5-en-26-oic-27,27,27-d3 acid, 3-hydroxy-7-oxo-, (3β)- [ACD/Index Name]
2342573-92-4 [RN]
3β-Hydroxy-7-oxocholest-5-enoic acid-d3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 590.5±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.1±6.0 kJ/mol
Flash Point: 324.9±21.9 °C
Index of Refraction: 1.550
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 314.55
ACD/KOC (pH 5.5): 1288.18
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 5.08
ACD/KOC (pH 7.4): 20.80
Polar Surface Area: 75 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 382.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement