ChemSpider 2D Image | 3-Sulfanyl-D-(4,4,4,4',4',4'-~2~H_6_)valine | C5H5D6NO2S

3-Sulfanyl-D-(4,4,4,4',4',4'-2H6)valine

  • Molecular FormulaC5H5D6NO2S
  • Average mass155.248 Da
  • Monoisotopic mass155.088715 Da
  • ChemSpider ID111311371
  • 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

3-Sulfanyl-D-(4,4,4,4',4',4'-2H6)valin [German] [ACD/IUPAC Name]
3-Sulfanyl-D-(4,4,4,4',4',4'-2H6)valine [ACD/IUPAC Name]
3-Sulfanyl-D-(4,4,4,4',4',4'-2H6)valine [French] [ACD/IUPAC Name]
D-Valine-4,4,4,4',4',4'-d6, 3-mercapto- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 251.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 53.9±6.0 kJ/mol
Flash Point: 106.1±25.9 °C
Index of Refraction: 1.528
Molar Refractivity: 38.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 123.8±3.0 cm3

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