ChemSpider 2D Image | N-[(3alpha,5beta,7alpha,8xi,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine | C26H43NO6

N-[(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine

  • Molecular FormulaC26H43NO6
  • Average mass465.623 Da
  • Monoisotopic mass465.309052 Da
  • ChemSpider ID21169546

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

Glycine, N-[(3α,5β,7α,8ξ,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]
N-[(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,5β,7α,8ξ,12α)-3,7,12-Trihydroxy-24-oxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
1192657-83-2 [RN]
3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide
Cholylglycine
Glycocholic acid [Wiki]
MFCD00065902 [MDL number]
N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

475-31-0 , 1192657-83-2 [DBID]
G2878_SIGMA [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 692.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.9±6.0 kJ/mol
Flash Point: 372.3±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.49
ACD/LogD (pH 5.5): -0.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 127 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 383.8±3.0 cm3

Click to predict properties on the Chemicalize site


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