ChemSpider 2D Image | N-{3-[3-(3'-Chloro-4-biphenylyl)-1,2-oxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamine | C28H29ClN4O8

N-{3-[3-(3'-Chloro-4-biphenylyl)-1,2-oxazol-5-yl]propanoyl}-L-α-glutamyl-L-α-glutamine

  • Molecular FormulaC28H29ClN4O8
  • Average mass585.005 Da
  • Monoisotopic mass584.167419 Da
  • ChemSpider ID25061228

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-α-Glutamine, N-[3-[3-(3'-chloro[1,1'-biphenyl]-4-yl)-5-isoxazolyl]-1-oxopropyl]-L-α-glutamyl- [ACD/Index Name]
N-{3-[3-(3'-Chlor-4-biphenylyl)-1,2-oxazol-5-yl]propanoyl}-L-α-glutamyl-L-α-glutamin [German] [ACD/IUPAC Name]
N-{3-[3-(3'-Chloro-4-biphenylyl)-1,2-oxazol-5-yl]propanoyl}-L-α-glutamyl-L-α-glutamine [ACD/IUPAC Name]
N-{3-[3-(3'-Chloro-4-biphénylyl)-1,2-oxazol-5-yl]propanoyl}-L-α-glutamyl-L-α-glutamine [French] [ACD/IUPAC Name]
N-{3-[3-(3'-Chlorobiphenyl-4-Yl)isoxazol-5-Yl]propanoyl}-L-α-Glutamyl-L-α-Glutamyl-Amide
EEA

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1045.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.2±3.0 kJ/mol
Flash Point: 586.1±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 0.80
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): -3.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 425.0±3.0 cm3

Click to predict properties on the Chemicalize site


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