ChemSpider 2D Image | (2S,3S)-3-Hydroxy-2-(~2~H_3_)methylbutanoic acid | C5H7D3O3

(2S,3S)-3-Hydroxy-2-(2H3)methylbutanoic acid

  • Molecular FormulaC5H7D3O3
  • Average mass121.150 Da
  • Monoisotopic mass121.081825 Da
  • ChemSpider ID58784256

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3S)-3-Hydroxy-2-(2H3)methylbutanoic acid [ACD/IUPAC Name]
(2S,3S)-3-Hydroxy-2-(2H3)methylbutansäure [German] [ACD/IUPAC Name]
Acide (2S,3S)-3-hydroxy-2-(2H3)méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-2-(methyl-d3)-, (2S,3S)- [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: 242.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 114.9±19.1 °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: -0.79
ACD/LogD (pH 5.5): -1.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -3.22
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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