ChemSpider 2D Image | 3-[(S)-Allylsulfinyl]alanine | C6H11NO3S

3-[(S)-Allylsulfinyl]alanine

  • Molecular FormulaC6H11NO3S
  • Average mass177.221 Da
  • Monoisotopic mass177.045959 Da
  • ChemSpider ID71354413

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

3-[(S)-Allylsulfinyl]alanin [German] [ACD/IUPAC Name]
3-[(S)-Allylsulfinyl]alanine [ACD/IUPAC Name]
3-[(S)-Allylsulfinyl]alanine [French] [ACD/IUPAC Name]
Alanine, 3-[(S)-(1S)-2-propen-1-ylsulfinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 416.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.4±6.0 kJ/mol
Flash Point: 205.5±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -3.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 70.4±3.0 dyne/cm
Molar Volume: 130.9±3.0 cm3

Click to predict properties on the Chemicalize site


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