ChemSpider 2D Image | (2S,6R)-lanthionine | C6H12N2O4S

(2S,6R)-lanthionine

  • Molecular FormulaC6H12N2O4S
  • Average mass208.236 Da
  • Monoisotopic mass208.051773 Da
  • ChemSpider ID25941878

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S,6R)-lanthionine
D-Cysteine, S-(2-amino-2-carboxyethyl)- [ACD/Index Name]
S-(2-Amino-2-carboxyethyl)-D-cystein [German] [ACD/IUPAC Name]
S-(2-Amino-2-carboxyethyl)-D-cysteine [ACD/IUPAC Name]
S-(2-Amino-2-carboxyéthyl)-D-cystéine [French] [ACD/IUPAC Name]
922-55-4 [RN]
lanthionine [Wiki]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 462.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 233.5±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 48.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -3.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 82.0±3.0 dyne/cm
Molar Volume: 138.9±3.0 cm3

Click to predict properties on the Chemicalize site


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