ChemSpider 2D Image | N-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-methylglycine | C27H45NO5

N-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-methylglycine

  • Molecular FormulaC27H45NO5
  • Average mass463.650 Da
  • Monoisotopic mass463.329773 Da
  • ChemSpider ID26503115

More details:






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

Glycine, N-(3,7-dihydroxy-24-oxocholan-24-yl)-N-methyl- [ACD/Index Name]
N-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-methylglycin [German] [ACD/IUPAC Name]
N-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-methylglycine [ACD/IUPAC Name]
N-(3,7-Dihydroxy-24-oxocholan-24-yl)-N-méthylglycine [French] [ACD/IUPAC Name]
88446-87-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 626.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 106.3±6.0 kJ/mol
Flash Point: 332.7±27.3 °C
Index of Refraction: 1.546
Molar Refractivity: 127.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 401.8±3.0 cm3

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