ChemSpider 2D Image | (2R)-2-Amino-4-(3-hydroxyphenyl)-2-methyl-4-oxobutanoic acid | C11H13NO4

(2R)-2-Amino-4-(3-hydroxyphenyl)-2-methyl-4-oxobutanoic acid

  • Molecular FormulaC11H13NO4
  • Average mass223.225 Da
  • Monoisotopic mass223.084457 Da
  • ChemSpider ID57642074

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Amino-4-(3-hydroxyphenyl)-2-methyl-4-oxobutanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4-(3-hydroxyphenyl)-2-methyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-amino-4-(3-hydroxyphényl)-2-méthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-amino-3-hydroxy-α-methyl-γ-oxo-, (αR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.5±28.7 °C
Index of Refraction: 1.599
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 167.3±3.0 cm3

Click to predict properties on the Chemicalize site


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