ChemSpider 2D Image | N-[4-(Benzyloxy)phenyl]-L-alpha-asparagine | C17H18N2O4

N-[4-(Benzyloxy)phenyl]-L-α-asparagine

  • Molecular FormulaC17H18N2O4
  • Average mass314.336 Da
  • Monoisotopic mass314.126648 Da
  • ChemSpider ID24697913

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acid
N-[4-(Benzyloxy)phenyl]-L-α-asparagin [German] [ACD/IUPAC Name]
N-[4-(Benzyloxy)phenyl]-L-α-asparagine [ACD/IUPAC Name]
N-[4-(Benzyloxy)phényl]-L-α-asparagine [French] [ACD/IUPAC Name]
4BO
Amino acid analog, 4b
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL477307/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 238.9±3.0 cm3

Click to predict properties on the Chemicalize site


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