ChemSpider 2D Image | 3-[(2-Hydroxyethyl)disulfanyl]-D-alanine | C5H11NO3S2

3-[(2-Hydroxyethyl)disulfanyl]-D-alanine

  • Molecular FormulaC5H11NO3S2
  • Average mass197.276 Da
  • Monoisotopic mass197.018036 Da
  • ChemSpider ID75226343

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2-Hydroxyethyl)disulfanyl]-D-alanin [German] [ACD/IUPAC Name]
3-[(2-Hydroxyethyl)disulfanyl]-D-alanine [ACD/IUPAC Name]
3-[(2-Hydroxyéthyl)disulfanyl]-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-[(2-hydroxyethyl)dithio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 383.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.1±6.0 kJ/mol
Flash Point: 185.6±27.9 °C
Index of Refraction: 1.625
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 135.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement