ChemSpider 2D Image | (2S,3R)-3-Hydroxy(2,4-~2~H_2_)butanoic acid | C4H6D2O3

(2S,3R)-3-Hydroxy(2,4-2H2)butanoic acid

  • Molecular FormulaC4H6D2O3
  • Average mass106.117 Da
  • Monoisotopic mass106.059898 Da
  • ChemSpider ID26581098

  • 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,3R)-3-Hydroxy(2,4-2H2)butanoic acid [ACD/IUPAC Name]
(2S,3R)-3-Hydroxy(2,4-2H2)butansäure [German] [ACD/IUPAC Name]
Acide (2S,3R)-3-hydroxy(2,4-2H2)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,4-d2 acid, 3-hydroxy-, (2S,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 269.2±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.9±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): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
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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