ChemSpider 2D Image | N-(2-Methyl-2-sulfanylpropanoyl)-D-cysteine | C7H13NO3S2

N-(2-Methyl-2-sulfanylpropanoyl)-D-cysteine

  • Molecular FormulaC7H13NO3S2
  • Average mass223.313 Da
  • Monoisotopic mass223.033676 Da
  • ChemSpider ID28528684

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)- [ACD/Index Name]
N-(2-Methyl-2-sulfanylpropanoyl)-D-cystein [German] [ACD/IUPAC Name]
N-(2-Methyl-2-sulfanylpropanoyl)-D-cysteine [ACD/IUPAC Name]
N-(2-Méthyl-2-sulfanylpropanoyl)-D-cystéine [French] [ACD/IUPAC Name]
130999-94-9 [RN]
N-(2-Mercapto-2-methylpropionyl)-D-cysteine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 438.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 218.7±28.7 °C
Index of Refraction: 1.553
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 173.2±3.0 cm3

Click to predict properties on the Chemicalize site


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