ChemSpider 2D Image | D-(3,3,4,4,4-~2~H_5_)Isovaline | C5H6D5NO2

D-(3,3,4,4,4-2H5)Isovaline

  • Molecular FormulaC5H6D5NO2
  • Average mass122.177 Da
  • Monoisotopic mass122.110359 Da
  • ChemSpider ID113056041

  • 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

D-(3,3,4,4,4-2H5)Isovalin [German] [ACD/IUPAC Name]
D-(3,3,4,4,4-2H5)Isovaline [ACD/IUPAC Name]
D-(3,3,4,4,4-2H5)Isovaline [French] [ACD/IUPAC Name]
D-Isovaline-3,3,4,4,4-d5 [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 213.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 49.6±6.0 kJ/mol
Flash Point: 83.0±22.6 °C
Index of Refraction: 1.466
Molar Refractivity: 30.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 109.4±3.0 cm3

Click to predict properties on the Chemicalize site


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