ChemSpider 2D Image | (2S)-3-Hydroxy-2-(~2~H_3_)methylpropanoic acid | C4H5D3O3

(2S)-3-Hydroxy-2-(2H3)methylpropanoic acid

  • Molecular FormulaC4H5D3O3
  • Average mass107.123 Da
  • Monoisotopic mass107.066177 Da
  • ChemSpider ID107447067

  • 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)-3-Hydroxy-2-(2H3)methylpropanoic acid [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-(2H3)methylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-hydroxy-2-(2H3)méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-(hydroxymethyl)-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 252.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 57.0±6.0 kJ/mol
Flash Point: 121.0±19.1 °C
Index of Refraction: 1.455
Molar Refractivity: 23.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.14
ACD/LogD (pH 5.5): -1.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 87.1±3.0 cm3

Click to predict properties on the Chemicalize site


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