ChemSpider 2D Image | H-D-Thr(tBu)-OH | C8H17NO3

H-D-Thr(tBu)-OH

  • Molecular FormulaC8H17NO3
  • Average mass175.225 Da
  • Monoisotopic mass175.120850 Da
  • ChemSpider ID18539474

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

201274-81-9 [RN]
H-D-Thr(tBu)-OH
O-(2-Methyl-2-propanyl)threonin [German] [ACD/IUPAC Name]
O-(2-Methyl-2-propanyl)threonine [ACD/IUPAC Name]
O-(2-Méthyl-2-propanyl)thréonine [French] [ACD/IUPAC Name]
o-(tert-butyl)-d-threonine
Threonine, O-(1,1-dimethylethyl)- [ACD/Index Name]
(2R,3S)-2-amino-3-(tert-butoxy)butanoic acid
[201274-81-9] [RN]
[4378-13-6] [RN]
More...
  • Experimental Physico-chemical Properties

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

Density: 1.1±0.1 g/cm3
Boiling Point: 275.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 56.5±6.0 kJ/mol
Flash Point: 120.3±24.6 °C
Index of Refraction: 1.464
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -1.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 166.1±3.0 cm3

Click to predict properties on the Chemicalize site


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