ChemSpider 2D Image | N~1~-[(2R,3S)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N~2~-(2-quinolinylcarbonyl)-D-aspartamide | C35H39N5O5

N1-[(2R,3S)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N2-(2-quinolinylcarbonyl)-D-aspartamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID7984793
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

D-Aspartamide, N1-[(1R,2S)-3-[2-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]-2-hydroxy-1-(phenylmethyl)propyl]-N2-(2-quinolinylcarbonyl)- [ACD/Index Name]
N1-[(2R,3S)-3-Hydroxy-4-{2-[(2-méthyl-2-propanyl)carbamoyl]phényl}-1-phényl-2-butanyl]-N2-(2-quinoléinylcarbonyl)-D-aspartamide [French] [ACD/IUPAC Name]
N1-[(2R,3S)-3-Hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-N2-(2-quinolinylcarbonyl)-D-aspartamide [ACD/IUPAC Name]
N2-(2-Chinolinylcarbonyl)-N1-[(2R,3S)-3-hydroxy-4-{2-[(2-methyl-2-propanyl)carbamoyl]phenyl}-1-phenyl-2-butanyl]-D-aspartamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 988.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 551.8±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 100.96
ACD/KOC (pH 5.5): 946.02
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.95
ACD/KOC (pH 7.4): 945.92
Polar Surface Area: 164 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 489.4±3.0 cm3

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