ChemSpider 2D Image | N-[(3alpha,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxo(2,2,4,4-~2~H_4_)cholan-24-yl]glycine | C26H39D4NO6

N-[(3α,7α,12α)-3,7,12-Trihydroxy-24-oxo(2,2,4,4-2H4)cholan-24-yl]glycine

  • Molecular FormulaC26H39D4NO6
  • Average mass469.647 Da
  • Monoisotopic mass469.334137 Da
  • ChemSpider ID24532584
  • defined stereocentres - 3 of 11 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

Glycine, N-[(3α,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]- [ACD/Index Name]
N-[(3α,7α,12α)-3,7,12-Trihydroxy-24-oxo(2,2,4,4-2H4)cholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3α,7α,12α)-3,7,12-Trihydroxy-24-oxo(2,2,4,4-2H4)cholan-24-yl]glycine [ACD/IUPAC Name]
N-[(3α,7α,12α)-3,7,12-Trihydroxy-24-oxo(2,2,4,4-2H4)cholan-24-yl]glycine [French] [ACD/IUPAC Name]
Glycocholic-2,2,4,4-d4 Acid

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

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






Advertisement