ChemSpider 2D Image | GLYCODEHYDROCHOLIC ACID | C26H37NO6

GLYCODEHYDROCHOLIC ACID

  • Molecular FormulaC26H37NO6
  • Average mass459.575 Da
  • Monoisotopic mass459.262085 Da
  • ChemSpider ID21436076

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3415-45-0 [RN]
Glycine, N-[(5β)-3,7,12,24-tetraoxocholan-24-yl]- [ACD/Index Name]
GLYCODEHYDROCHOLIC ACID
N-[(5β)-3,7,12,24-Tetraoxocholan-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(5β)-3,7,12,24-Tetraoxocholan-24-yl]glycine [ACD/IUPAC Name]
N-[(5β)-3,7,12,24-Tétraoxocholan-24-yl]glycine [French] [ACD/IUPAC Name]
G-5400
Glycine dehydrocholate
GLYCODEHYDROCHOLICACID
N-[(5β)-3,7,12,24-tetraoxocholan-24-yl]-glycine
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 692.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 110.5±6.0 kJ/mol
Flash Point: 372.4±31.5 °C
Index of Refraction: 1.539
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.65
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 382.3±3.0 cm3

Click to predict properties on the Chemicalize site


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