ChemSpider 2D Image | (2S)-2-Hydroxy-4-methyl(5,5,5-~2~H_3_)pentanoic acid | C6H9D3O3

(2S)-2-Hydroxy-4-methyl(5,5,5-2H3)pentanoic acid

  • Molecular FormulaC6H9D3O3
  • Average mass135.176 Da
  • Monoisotopic mass135.097473 Da
  • ChemSpider ID77499016

  • 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-4-methyl(5,5,5-2H3)pentanoic acid [ACD/IUPAC Name]
(2S)-2-Hydroxy-4-methyl(5,5,5-2H3)pentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-4-méthyl(5,5,5-2H3)pentanoïque [French] [ACD/IUPAC Name]
Pentanoic-5,5,5-d3 acid, 2-hydroxy-4-methyl-, (2S)- [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: 251.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.8±6.0 kJ/mol
Flash Point: 120.1±16.3 °C
Index of Refraction: 1.458
Molar Refractivity: 32.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 40.6±3.0 dyne/cm
Molar Volume: 120.5±3.0 cm3

Click to predict properties on the Chemicalize site


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