ChemSpider 2D Image | N-Acetyl-S-benzyl(3,3-~2~H_2_)cysteine | C12H13D2NO3S

N-Acetyl-S-benzyl(3,3-2H2)cysteine

  • Molecular FormulaC12H13D2NO3S
  • Average mass255.330 Da
  • Monoisotopic mass255.089813 Da
  • ChemSpider ID21426845

  • Non-standard isotope - Non-standard isotope

More details:

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

Cysteine-3,3-d2, N-acetyl-S-(phenylmethyl)- [ACD/Index Name]
N-Acetyl-S-benzyl(3,3-2H2)cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-benzyl(3,3-2H2)cysteine [ACD/IUPAC Name]
N-Acétyl-S-benzyl(3,3-2H2)cystéine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 506.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 259.9±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 67.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 203.2±3.0 cm3

Click to predict properties on the Chemicalize site


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