ChemSpider 2D Image | N-[(5xi,8xi,9xi,10xi,13xi,14xi,17xi,20xi)-3,12-Dihydroxy-24-oxocholan-24-yl]tyrosine | C33H49NO6

N-[(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]tyrosine

  • Molecular FormulaC33H49NO6
  • Average mass555.745 Da
  • Monoisotopic mass555.356018 Da
  • ChemSpider ID28716562

More details:






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

N-[(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]tyrosin [German] [ACD/IUPAC Name]
N-[(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]tyrosine [ACD/IUPAC Name]
N-[(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-3,12-Dihydroxy-24-oxocholan-24-yl]tyrosine [French] [ACD/IUPAC Name]
Tyrosine, N-[(5ξ,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ,20ξ)-3,12-dihydroxy-24-oxocholan-24-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 766.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.1±3.0 kJ/mol
Flash Point: 417.5±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.49
ACD/KOC (pH 5.5): 17.17
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 127 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 462.8±3.0 cm3

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