ChemSpider 2D Image | S-[4-Hydroxy-2-methyl(4-~2~H_1_)-2-butanyl]-L-cysteine | C8H16DNO3S

S-[4-Hydroxy-2-methyl(4-2H1)-2-butanyl]-L-cysteine

  • Molecular FormulaC8H16DNO3S
  • Average mass208.297 Da
  • Monoisotopic mass208.099197 Da
  • ChemSpider ID115010206

  • 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, S-(3-hydroxy-1,1-dimethylpropyl-3-d)- [ACD/Index Name]
S-[4-Hydroxy-2-methyl(4-2H1)-2-butanyl]-L-cystein [German] [ACD/IUPAC Name]
S-[4-Hydroxy-2-methyl(4-2H1)-2-butanyl]-L-cysteine [ACD/IUPAC Name]
S-[4-Hydroxy-2-méthyl(4-2H1)-2-butanyl]-L-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: 359.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.1±6.0 kJ/mol
Flash Point: 171.3±27.9 °C
Index of Refraction: 1.541
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 170.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement