ChemSpider 2D Image | (2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoate | C9H10NO4


  • Molecular FormulaC9H10NO4
  • Average mass196.180 Da
  • Monoisotopic mass196.061523 Da
  • ChemSpider ID28533097
  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoat [German] [ACD/IUPAC Name]
(2S)-2-Amino-3-(3,4-dihydroxyphenyl)propanoate [ACD/IUPAC Name]
(2S)-2-Amino-3-(3,4-dihydroxyphényl)propanoate [French] [ACD/IUPAC Name]
L-Tyrosine, 3-hydroxy-, ion(1-) [ACD/Index Name]
L-dopa carboxylate
  • Miscellaneous
    • Chemical Class:

      A L-alpha-amino acid anion which is the conjugate base of L-dopa, obtained by deprotonation of the carboxy group: major species at pH 7.3. ChEBI CHEBI:67012

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point: 448.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 225.0±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Surface Tension:
Molar Volume:

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