ChemSpider 2D Image | N-Acetyl-S-[(~2~H_5_)phenylmethyl]-L-cysteine | C12H10D5NO3S

N-Acetyl-S-[(2H5)phenylmethyl]-L-cysteine

  • Molecular FormulaC12H10D5NO3S
  • Average mass258.348 Da
  • Monoisotopic mass258.108643 Da
  • ChemSpider ID60497997

  • 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

L-Cysteine, N-acetyl-S-(phenyl-d5-methyl)- [ACD/Index Name]
N-Acetyl-S-[(2H5)phenylmethyl]-L-cystein [German] [ACD/IUPAC Name]
N-Acetyl-S-[(2H5)phenylmethyl]-L-cysteine [ACD/IUPAC Name]
N-Acétyl-S-[(2H5)phénylméthyl]-L-cystéine [French] [ACD/IUPAC Name]
1955496-81-7 [RN]
L-S-Benzylmercapturic Acid
N-Acetyl-S-benzyl-d5-L-cysteine

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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