ChemSpider 2D Image | (4S)-5,5,5-Trichloro-N-[(3S)-4,4,4-trichloro-3-methylbutanoyl]leucine | C11H15Cl6NO3

(4S)-5,5,5-Trichloro-N-[(3S)-4,4,4-trichloro-3-methylbutanoyl]leucine

  • Molecular FormulaC11H15Cl6NO3
  • Average mass421.960 Da
  • Monoisotopic mass418.918304 Da
  • ChemSpider ID30660085

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-5,5,5-Trichlor-N-[(3S)-4,4,4-trichlor-3-methylbutanoyl]leucin [German] [ACD/IUPAC Name]
(4S)-5,5,5-Trichloro-N-[(3S)-4,4,4-trichloro-3-methylbutanoyl]leucine [ACD/IUPAC Name]
(4S)-5,5,5-Trichloro-N-[(3S)-4,4,4-trichloro-3-méthylbutanoyl]leucine [French] [ACD/IUPAC Name]
Leucine, 5,5,5-trichloro-N-[(3S)-4,4,4-trichloro-3-methyl-1-oxobutyl]-, (4S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 262.6±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 13.39
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 280.2±3.0 cm3

Click to predict properties on the Chemicalize site


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