ChemSpider 2D Image | N-Palmitoylhistidine | C22H39N3O3

N-Palmitoylhistidine

  • Molecular FormulaC22H39N3O3
  • Average mass393.563 Da
  • Monoisotopic mass393.299133 Da
  • ChemSpider ID57508098

More details:

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

Histidine, N-(1-oxohexadecyl)- [ACD/Index Name]
N-Palmitoylhistidin [German] [ACD/IUPAC Name]
N-Palmitoylhistidine [ACD/IUPAC Name]
N-Palmitoylhistidine [French] [ACD/IUPAC Name]
2-HEXADECANAMIDO-3-(3H-IMIDAZOL-4-YL)PROPANOIC ACID

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

Density: 1.0±0.1 g/cm3
Boiling Point: 638.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 339.9±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 1
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 58.34
ACD/KOC (pH 5.5): 124.80
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 34.37
ACD/KOC (pH 7.4): 73.53
Polar Surface Area: 95 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 375.4±3.0 cm3

Click to predict properties on the Chemicalize site


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