ChemSpider 2D Image | Eluxadoline | C32H35N5O5

Eluxadoline

  • Molecular FormulaC32H35N5O5
  • Average mass569.651 Da
  • Monoisotopic mass569.263794 Da
  • ChemSpider ID58172562

More details:






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

5-({(4-Carbamoyl-2,6-dimethylphenylalanyl)[1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)-2-methoxybenzoesäure [German] [ACD/IUPAC Name]
5-({(4-Carbamoyl-2,6-dimethylphenylalanyl)[1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino}methyl)-2-methoxybenzoic acid [ACD/IUPAC Name]
Acide 5-({(4-carbamoyl-2,6-diméthylphénylalanyl)[1-(5-phényl-1H-imidazol-2-yl)éthyl]amino}méthyl)-2-méthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[[[2-amino-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-1-oxopropyl][1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy- [ACD/Index Name]
864821-90-9 [RN]
DB09272
PI-44811

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

45TPJ4MBQ1 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 834.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 458.3±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.93
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.47
Polar Surface Area: 165 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 443.5±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement