ChemSpider 2D Image | N-Acetyl-S-(2-cyanoethyl)-D-cysteine | C8H12N2O3S

N-Acetyl-S-(2-cyanoethyl)-D-cysteine

  • Molecular FormulaC8H12N2O3S
  • Average mass216.258 Da
  • Monoisotopic mass216.056870 Da
  • ChemSpider ID76920141

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Cysteine, N-acetyl-S-(2-cyanoethyl)- [ACD/Index Name]
N-Acetyl-S-(2-cyanethyl)-D-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-(2-cyanoethyl)-D-cysteine [ACD/IUPAC Name]
N-Acétyl-S-(2-cyanoéthyl)-D-cystéine [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: 543.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 282.7±30.1 °C
Index of Refraction: 1.530
Molar Refractivity: 52.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 168.9±3.0 cm3

Click to predict properties on the Chemicalize site


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