ChemSpider 2D Image | L-Cysteine, N-(acetyl-d3)-S-(2,2-dichloroethenyl)- | C7H6D3Cl2NO3S

L-Cysteine, N-(acetyl-d3)-S-(2,2-dichloroethenyl)-

  • Molecular FormulaC7H6D3Cl2NO3S
  • Average mass261.141 Da
  • Monoisotopic mass259.986847 Da
  • ChemSpider ID165186

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

126543-44-0 [RN]
L-Cysteine, N-(acetyl-d3)-S-(2,2-dichloroethenyl)-
L-Cysteine, S-(2,2-dichloroethenyl)-N-(1-oxoethyl-2,2,2-d3)- [ACD/Index Name]
S-(2,2-Dichlorovinyl)-N-(2H3)ethanoyl-L-cysteine [ACD/IUPAC Name]
S-(2,2-Dichlorovinyl)-N-(2H3)éthanoyl-L-cystéine [French] [ACD/IUPAC Name]
S-(2,2-Dichlorvinyl)-N-(2H3)ethanoyl-L-cystein [German] [ACD/IUPAC Name]
s-(2,2-dichloroethenyl)-n-(2h3)ethanoyl-l-cysteine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 448.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±6.0 kJ/mol
Flash Point: 225.3±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -1.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 175.2±3.0 cm3

Click to predict properties on the Chemicalize site


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