ChemSpider 2D Image | L-Histidyl-3-(2-methyl-6H-indol-3-yl)-D-alanyl-L-alanyl-3-(7H-indol-3-yl)-L-alanyl-D-phenylalanyl-L-lysinamide | C47H58N12O6

L-Histidyl-3-(2-methyl-6H-indol-3-yl)-D-alanyl-L-alanyl-3-(7H-indol-3-yl)-L-alanyl-D-phenylalanyl-L-lysinamide

  • Molecular FormulaC47H58N12O6
  • Average mass887.040 Da
  • Monoisotopic mass886.460205 Da
  • ChemSpider ID110095615

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Histidyl-3-(2-methyl-6H-indol-3-yl)-D-alanyl-L-alanyl-3-(7H-indol-3-yl)-L-alanyl-D-phenylalanyl-L-lysinamid [German] [ACD/IUPAC Name]
L-Histidyl-3-(2-methyl-6H-indol-3-yl)-D-alanyl-L-alanyl-3-(7H-indol-3-yl)-L-alanyl-D-phenylalanyl-L-lysinamide [ACD/IUPAC Name]
L-Histidyl-3-(2-méthyl-6H-indol-3-yl)-D-alanyl-L-alanyl-3-(7H-indol-3-yl)-L-alanyl-D-phénylalanyl-L-lysinamide [French] [ACD/IUPAC Name]
L-Lysinamide, L-histidyl-3-(2-methyl-6H-indol-3-yl)-D-alanyl-L-alanyl-3-(7H-indol-3-yl)-L-alanyl-D-phenylalanyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1370.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 208.6±3.0 kJ/mol
Flash Point: 782.7±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 241.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -6.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 95.9±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 629.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement