ChemSpider 2D Image | (betaS)-beta-Hydroxyphenylalanine | C9H11NO3

(βS)-β-Hydroxyphenylalanine

  • Molecular FormulaC9H11NO3
  • Average mass181.189 Da
  • Monoisotopic mass181.073898 Da
  • ChemSpider ID78474517

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(βS)-β-Hydroxyphenylalanin [German] [ACD/IUPAC Name]
(βS)-β-Hydroxyphenylalanine [ACD/IUPAC Name]
(βS)-β-Hydroxyphénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, β-hydroxy-, (βS)- [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: 398.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 194.5±27.9 °C
Index of Refraction: 1.610
Molar Refractivity: 47.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): -2.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 135.7±3.0 cm3

Click to predict properties on the Chemicalize site


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