ChemSpider 2D Image | 3-Oxo(27,27,27-~2~H_3_)cholest-4-en-26-oic acid | C27H39D3O3

3-Oxo(27,27,27-2H3)cholest-4-en-26-oic acid

  • Molecular FormulaC27H39D3O3
  • Average mass417.639 Da
  • Monoisotopic mass417.332214 Da
  • ChemSpider ID128937954

  • defined stereocentres - 7 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

3-Oxo(27,27,27-2H3)cholest-4-en-26-oic acid [ACD/IUPAC Name]
3-Oxo(27,27,27-2H3)cholest-4-en-26-säure [German] [ACD/IUPAC Name]
Acide 3-oxo(27,27,27-2H3)cholest-4-én-26-oïque [French] [ACD/IUPAC Name]
Cholest-4-en-26-oic-27,27,27-d3 acid, 3-oxo- [ACD/Index 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: 554.6±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.4±6.0 kJ/mol
Flash Point: 303.3±18.0 °C
Index of Refraction: 1.538
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.26
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 4314.89
ACD/KOC (pH 5.5): 8396.73
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 69.67
ACD/KOC (pH 7.4): 135.57
Polar Surface Area: 54 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 384.5±5.0 cm3

Click to predict properties on the Chemicalize site


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