ChemSpider 2D Image | D-Histidyl-2-methyl-L-tryptophyl-D-alanyl-D-tryptophylphenylalanyl-D-lysinamide | C47H58N12O6

D-Histidyl-2-methyl-L-tryptophyl-D-alanyl-D-tryptophylphenylalanyl-D-lysinamide

  • Molecular FormulaC47H58N12O6
  • Average mass887.040 Da
  • Monoisotopic mass886.460205 Da
  • ChemSpider ID114100995
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

D-Histidyl-2-methyl-L-tryptophyl-D-alanyl-D-tryptophylphenylalanyl-D-lysinamid [German] [ACD/IUPAC Name]
D-Histidyl-2-methyl-L-tryptophyl-D-alanyl-D-tryptophylphenylalanyl-D-lysinamide [ACD/IUPAC Name]
D-Histidyl-2-méthyl-L-tryptophyl-D-alanyl-D-tryptophylphénylalanyl-D-lysinamide [French] [ACD/IUPAC Name]
D-Lysinamide, D-histidyl-2-methyl-L-tryptophyl-D-alanyl-D-tryptophylphenylalanyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1403.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 214.7±3.0 kJ/mol
Flash Point: 802.7±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 247.7±0.3 cm3
#H bond acceptors: 18
#H bond donors: 14
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -2.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 98.2±0.5 10-24cm3
Surface Tension: 66.6±3.0 dyne/cm
Molar Volume: 670.8±3.0 cm3

Click to predict properties on the Chemicalize site






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