ChemSpider 2D Image | (3R)-3-Ammonio-2,2-difluoro-3-(4-hydroxyphenyl)propanoate | C9H9F2NO3

(3R)-3-Ammonio-2,2-difluoro-3-(4-hydroxyphenyl)propanoate

  • Molecular FormulaC9H9F2NO3
  • Average mass217.169 Da
  • Monoisotopic mass217.055054 Da
  • ChemSpider ID23315374

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Ammonio-2,2-difluor-3-(4-hydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
(3R)-3-Ammonio-2,2-difluoro-3-(4-hydroxyphenyl)propanoate [ACD/IUPAC Name]
(3R)-3-Ammonio-2,2-difluoro-3-(4-hydroxyphényl)propanoate [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-α,α-difluoro-4-hydroxy-, (βR)- [ACD/Index Name]
α,α-difluoro-β-tyrosine

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

247 [DBID]

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

Density:
Boiling Point: 387.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 188.4±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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