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Search term: BMRAURDLHOPSBE-FRMRTHFDSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-[(3beta,7beta)-3,7-Dihydroxy-24-oxochol-5-en-24-yl]glycine | C26H41NO5

N-[(3β,7β)-3,7-Dihydroxy-24-oxochol-5-en-24-yl]glycine

  • Molecular FormulaC26H41NO5
  • Average mass447.607 Da
  • Monoisotopic mass447.298462 Da
  • ChemSpider ID113385589
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

Glycine, N-[(3β,7β)-3,7-dihydroxy-24-oxochol-5-en-24-yl]- [ACD/Index Name]
N-[(3β,7β)-3,7-Dihydroxy-24-oxochol-5-en-24-yl]glycin [German] [ACD/IUPAC Name]
N-[(3β,7β)-3,7-Dihydroxy-24-oxochol-5-en-24-yl]glycine [ACD/IUPAC Name]
N-[(3β,7β)-3,7-Dihydroxy-24-oxochol-5-én-24-yl]glycine [French] [ACD/IUPAC Name]
N-(3β,7β,dihydroxycholest-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: 672.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±6.0 kJ/mol
Flash Point: 360.5±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.49
ACD/LogD (pH 7.4): -0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 371.0±5.0 cm3

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