ChemSpider 2D Image | N~2~-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-(3-methylphenyl)glutamine | C36H54N2O6

N2-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-(3-methylphenyl)glutamine

  • Molecular FormulaC36H54N2O6
  • Average mass610.824 Da
  • Monoisotopic mass610.398193 Da
  • ChemSpider ID25049137

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

Glutamine, N2-(3,7-dihydroxy-24-oxocholan-24-yl)-N-(3-methylphenyl)- [ACD/Index Name]
N2-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-(3-methylphenyl)glutamin [German] [ACD/IUPAC Name]
N2-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-(3-methylphenyl)glutamine [ACD/IUPAC Name]
N2-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-(3-méthylphényl)glutamine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 834.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.4±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 5.53
ACD/KOC (pH 5.5): 25.29
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.34
Polar Surface Area: 136 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 513.9±3.0 cm3

Click to predict properties on the Chemicalize site


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