ChemSpider 2D Image | Ethyl N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl]glycinate | C28H47NO5

Ethyl N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]glycinate

  • Molecular FormulaC28H47NO5
  • Average mass477.677 Da
  • Monoisotopic mass477.345428 Da
  • ChemSpider ID58170885

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

Ethyl N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]glycinate [ACD/IUPAC Name]
Ethyl-N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]glycinat [German] [ACD/IUPAC Name]
Glycine, N-[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]-, ethyl ester [ACD/Index Name]
N-[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]glycinate d'éthyle [French] [ACD/IUPAC Name]
70779-06-5 [RN]
ethyl 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
Ethyl glycodeoxycholate
Glycodeoxycholic Acid Ethyl Ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 619.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.3±6.0 kJ/mol
Flash Point: 328.5±28.7 °C
Index of Refraction: 1.528
Molar Refractivity: 132.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.85
ACD/BCF (pH 5.5): 498.45
ACD/KOC (pH 5.5): 2968.66
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 498.45
ACD/KOC (pH 7.4): 2968.67
Polar Surface Area: 96 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 428.7±3.0 cm3

Click to predict properties on the Chemicalize site


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