ChemSpider 2D Image | alpha-(Fluoromethyl)-D-histidine | C7H10FN3O2

α-(Fluoromethyl)-D-histidine

  • Molecular FormulaC7H10FN3O2
  • Average mass187.172 Da
  • Monoisotopic mass187.075699 Da
  • ChemSpider ID67154667

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Histidine, α-(fluoromethyl)- [ACD/Index Name]
α-(Fluormethyl)-D-histidin [German] [ACD/IUPAC Name]
α-(Fluoromethyl)-D-histidine [ACD/IUPAC Name]
α-(Fluorométhyl)-D-histidine [French] [ACD/IUPAC Name]
(r)-α-fluoromethylhistidine
76215-17-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 484.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 246.5±28.7 °C
Index of Refraction: 1.570
Molar Refractivity: 42.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.49
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 130.6±3.0 cm3

Click to predict properties on the Chemicalize site


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