ChemSpider 2D Image | Methyl N-benzoyl-D-histidinate | C14H15N3O3

Methyl N-benzoyl-D-histidinate

  • Molecular FormulaC14H15N3O3
  • Average mass273.287 Da
  • Monoisotopic mass273.111328 Da
  • ChemSpider ID78428471

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Histidine, N-benzoyl-, methyl ester [ACD/Index Name]
Methyl N-benzoyl-D-histidinate [ACD/IUPAC Name]
Methyl-N-benzoyl-D-histidinat [German] [ACD/IUPAC Name]
N-Benzoyl-D-histidinate de méthyle [French] [ACD/IUPAC 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: 601.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.7±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 72.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 58.19
Polar Surface Area: 84 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 215.4±3.0 cm3

Click to predict properties on the Chemicalize site


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