ChemSpider 2D Image | (betaR)-beta-Hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-L-phenylalanine | C15H18F3NO5

(βR)-β-Hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-L-phenylalanine

  • Molecular FormulaC15H18F3NO5
  • Average mass349.302 Da
  • Monoisotopic mass349.113708 Da
  • ChemSpider ID22803500

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(βR)-β-Hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(trifluormethyl)-L-phenylalanin [German] [ACD/IUPAC Name]
(βR)-β-Hydroxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-L-phenylalanine [ACD/IUPAC Name]
(βR)-β-Hydroxy-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-(trifluorométhyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-β-hydroxy-3-(trifluoromethyl)-, (βR)- [ACD/Index Name]
(2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
[1134411-38-3] [RN]
1134411-38-3 [RN]
BOC-D-threo-3-(3-trifluoromethylphenyl)serine
MFCD08752520 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 460.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.2±28.7 °C
Index of Refraction: 1.503
Molar Refractivity: 77.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): -1.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 260.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement