ChemSpider 2D Image | N-({[2-(Dodecanoylamino)cyclohexyl]oxy}acetyl)-L-alanyl-D-alpha-glutamine | C28H50N4O7

N-({[2-(Dodecanoylamino)cyclohexyl]oxy}acetyl)-L-alanyl-D-α-glutamine

  • Molecular FormulaC28H50N4O7
  • Average mass554.719 Da
  • Monoisotopic mass554.367920 Da
  • ChemSpider ID8730172

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

D-α-Glutamine, N-[2-[[2-[(1-oxododecyl)amino]cyclohexyl]oxy]acetyl]-L-alanyl- [ACD/Index Name]
N-({[2-(Dodecanoylamino)cyclohexyl]oxy}acetyl)-L-alanyl-D-α-glutamin [German] [ACD/IUPAC Name]
N-({[2-(Dodecanoylamino)cyclohexyl]oxy}acetyl)-L-alanyl-D-α-glutamine [ACD/IUPAC Name]
N-(2-{[2-(Dodecanoylamino)cyclohexyl]oxy}acétyl)-L-alanyl-D-α-glutamine [French] [ACD/IUPAC Name]
(R)-4-Carbamoyl-4-{(S)-2-[2-(2-dodecanoylamino-cyclohexyloxy)-acetylamino]-propionylamino}-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL358827/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 872.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.6±6.0 kJ/mol
Flash Point: 481.3±34.3 °C
Index of Refraction: 1.524
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 23.21
ACD/KOC (pH 5.5): 161.47
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.56
Polar Surface Area: 177 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 483.8±5.0 cm3

Click to predict properties on the Chemicalize site


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