ChemSpider 2D Image | (2S)-2-Hydroxy-3-(~2~H_3_)methyl(~2~H_5_)butanoic acid | C5H2D8O3

(2S)-2-Hydroxy-3-(2H3)methyl(2H5)butanoic acid

  • Molecular FormulaC5H2D8O3
  • Average mass126.180 Da
  • Monoisotopic mass126.113205 Da
  • ChemSpider ID107447068

  • 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

(2S)-2-Hydroxy-3-(2H3)methyl(2H5)butanoic acid [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-(2H3)methyl(2H5)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-3-(2H3)méthyl(2H5)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,3,4,4,4-d5 acid, 2-hydroxy-3-(methyl-d3)-, (2S)- [ACD/Index Name]
1509909-35-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 237.6±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 55.1±6.0 kJ/mol
Flash Point: 111.8±16.3 °C
Index of Refraction: 1.455
Molar Refractivity: 28.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): -1.86
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: 58 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 104.0±3.0 cm3

Click to predict properties on the Chemicalize site


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