ChemSpider 2D Image | N-(3-{4-[(2-Chlorobenzyl)oxy]phenyl}propanoyl)-O-(4-morpholinylcarbonyl)-L-tyrosine | C30H31ClN2O7

N-(3-{4-[(2-Chlorobenzyl)oxy]phenyl}propanoyl)-O-(4-morpholinylcarbonyl)-L-tyrosine

  • Molecular FormulaC30H31ClN2O7
  • Average mass567.029 Da
  • Monoisotopic mass566.182007 Da
  • ChemSpider ID9752512

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, N-[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-oxopropyl]-O-(4-morpholinylcarbonyl)- [ACD/Index Name]
N-(3-{4-[(2-Chlorbenzyl)oxy]phenyl}propanoyl)-O-(4-morpholinylcarbonyl)-L-tyrosin [German] [ACD/IUPAC Name]
N-(3-{4-[(2-Chlorobenzyl)oxy]phenyl}propanoyl)-O-(4-morpholinylcarbonyl)-L-tyrosine [ACD/IUPAC Name]
N-(3-{4-[(2-Chlorobenzyl)oxy]phényl}propanoyl)-O-(4-morpholinylcarbonyl)-L-tyrosine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.0±3.0 kJ/mol
Flash Point: 437.7±34.3 °C
Index of Refraction: 1.608
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 6.23
ACD/KOC (pH 5.5): 24.47
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.79
Polar Surface Area: 114 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 428.8±3.0 cm3

Click to predict properties on the Chemicalize site


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