ChemSpider 2D Image | 5-Oxo-L-prolyl-5-fluoro-L-histidyl-L-prolinamide | C16H21FN6O4

5-Oxo-L-prolyl-5-fluoro-L-histidyl-L-prolinamide

  • Molecular FormulaC16H21FN6O4
  • Average mass380.374 Da
  • Monoisotopic mass380.160828 Da
  • ChemSpider ID57523334
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

5-Oxo-L-prolyl-5-fluor-L-histidyl-L-prolinamid [German] [ACD/IUPAC Name]
5-Oxo-L-prolyl-5-fluoro-L-histidyl-L-prolinamide [ACD/IUPAC Name]
5-Oxo-L-prolyl-5-fluoro-L-histidyl-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, 5-oxo-L-prolyl-5-fluoro-L-histidyl- [ACD/Index Name]
81222-57-3 [RN]
thyrotropin releasing hormone 5-fluoroimidazole

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 973.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.1±3.0 kJ/mol
Flash Point: 542.8±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -2.68
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.88
Polar Surface Area: 150 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 259.1±3.0 cm3

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