ChemSpider 2D Image | L-alpha-Aspartyl-L-methionyl-D-histidyl-L-alpha-aspartyl-D-phenylalanyl-D-phenylalanyl-D-valylglycyl-L-leucyl-L-methioninamide | C55H79N13O14S2

L-α-Aspartyl-L-methionyl-D-histidyl-L-α-aspartyl-D-phenylalanyl-D-phenylalanyl-D-valylglycyl-L-leucyl-L-methioninamide

  • Molecular FormulaC55H79N13O14S2
  • Average mass1210.425 Da
  • Monoisotopic mass1209.531128 Da
  • ChemSpider ID26567351

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Methioninamide, L-α-aspartyl-L-methionyl-D-histidyl-L-α-aspartyl-D-phenylalanyl-D-phenylalanyl-D-valylglycyl-L-leucyl- [ACD/Index Name]
L-α-Asparagyl-L-methionyl-D-histidyl-L-α-asparagyl-D-phenylalanyl-D-phenylalanyl-D-valylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
L-α-Aspartyl-L-methionyl-D-histidyl-L-α-aspartyl-D-phenylalanyl-D-phenylalanyl-D-valylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
L-α-Aspartyl-L-méthionyl-D-histidyl-L-α-aspartyl-D-phénylalanyl-D-phénylalanyl-D-valylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
86933-75-7 [RN]
Neurokinin B (human, porcine)

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1646.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 271.4±3.0 kJ/mol
Flash Point: 949.3±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 311.7±0.3 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -1.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 485 Å2
Polarizability: 123.6±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 921.7±3.0 cm3

Click to predict properties on the Chemicalize site


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