ChemSpider 2D Image | (3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid | C9H11NO3

(3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid

  • Molecular FormulaC9H11NO3
  • Average mass181.189 Da
  • Monoisotopic mass181.073898 Da
  • ChemSpider ID75233383

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-2-hydroxy-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-2-hydroxy-3-phénylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-α-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: 400.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 195.9±28.7 °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: 0.95
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): -2.23
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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