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Search term: PYLJGABTKOZRCY-INIZCTEOSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N-(2-Bromobenzoyl)-L-tryptophan | C18H15BrN2O3

N-(2-Bromobenzoyl)-L-tryptophan

  • Molecular FormulaC18H15BrN2O3
  • Average mass387.227 Da
  • Monoisotopic mass386.026611 Da
  • ChemSpider ID23108025
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Tryptophan, N-(2-bromobenzoyl)- [ACD/Index Name]
N-(2-Brombenzoyl)-L-tryptophan [German] [ACD/IUPAC Name]
N-(2-Bromobenzoyl)-L-tryptophan [ACD/IUPAC Name]
N-(2-Bromobenzoyl)-L-tryptophane [French] [ACD/IUPAC Name]
(S)-2-(2-Bromo-benzoylamino)-3-(1H-indol-3-yl)-propionic acid
317321-65-6 [RN]
CHEMBL268669

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

Density: 1.6±0.1 g/cm3
Boiling Point: 647.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 95.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 13.85
ACD/LogD (pH 7.4): -0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 247.1±3.0 cm3

Click to predict properties on the Chemicalize site






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