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Search term: AXBXXYALPXTOOI-UBKHJBOVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(3beta)-3-Hydroxy-7,24-dioxochol-5-en-24-yl]glycine | C26H39NO5

N-[(3β)-3-Hydroxy-7,24-dioxochol-5-en-24-yl]glycine

  • Molecular FormulaC26H39NO5
  • Average mass445.592 Da
  • Monoisotopic mass445.282837 Da
  • ChemSpider ID113385590

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

Glycine, N-[(3β)-3-hydroxy-7,24-dioxochol-5-en-24-yl]- [ACD/Index Name]
N-[(3β)-3-Hydroxy-7,24-dioxochol-5-en-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3β)-3-Hydroxy-7,24-dioxochol-5-en-24-yl]glycine [ACD/IUPAC Name]
N-[(3β)-3-Hydroxy-7,24-dioxochol-5-én-24-yl]glycine [French] [ACD/IUPAC Name]
3β-Hydroxy-7-oxochol-5-en-24-oyl-glycine
N-(3β-hydroxy-7-oxocholest-5-en-24-oyl) glycine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.6±6.0 kJ/mol
Flash Point: 362.9±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 120.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.40
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 47.9±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 369.9±5.0 cm3

Click to predict properties on the Chemicalize site


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