ChemSpider 2D Image | (2R)-2-Acetamido(4,4,4-~2~H_3_)butanoic acid | C6H8D3NO3

(2R)-2-Acetamido(4,4,4-2H3)butanoic acid

  • Molecular FormulaC6H8D3NO3
  • Average mass148.175 Da
  • Monoisotopic mass148.092728 Da
  • ChemSpider ID58782202

  • 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

(2R)-2-Acetamido(4,4,4-2H3)butanoic acid [ACD/IUPAC Name]
(2R)-2-Acetamido(4,4,4-2H3)butansäure [German] [ACD/IUPAC Name]
Butanoic-4,4,4-d3 acid, 2-(acetylamino)-, (2R)- [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: 368.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.5±6.0 kJ/mol
Flash Point: 176.5±23.2 °C
Index of Refraction: 1.457
Molar Refractivity: 35.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -3.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 13.9±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 128.5±3.0 cm3

Click to predict properties on the Chemicalize site


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