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Search term: MIEILDYWGANZNH-DSQUFTABSA-M (Found by InChIKey (full match))

ChemSpider 2D Image | 1-[(2S)-2-Ammonio-2-carboxylatoethyl]-4-hydroxy-2,5-cyclohexadiene-1-carboxylate | C10H12NO5


  • Molecular FormulaC10H12NO5
  • Average mass226.206 Da
  • Monoisotopic mass226.072098 Da
  • ChemSpider ID26331064
  • Charge - Charge

    defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1-[(2S)-2-Ammonio-2-carboxylatoethyl]-4-hydroxy-2,5-cyclohexadien-1-carboxylat [German] [ACD/IUPAC Name]
1-[(2S)-2-Ammonio-2-carboxylatoethyl]-4-hydroxy-2,5-cyclohexadiene-1-carboxylate [ACD/IUPAC Name]
1-[(2S)-2-Ammonio-2-carboxylatoéthyl]-4-hydroxy-2,5-cyclohexadiène-1-carboxylate [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1-propanoic acid, α-amino-1-carboxy-4-hydroxy-, inner salt, ion(1-), (αS)- [ACD/Index Name]
L-arogenate anion
  • Miscellaneous
    • Chemical Class:

      Conjugate base of L-arogenic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3. ChEBI CHEBI:58180

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

Boiling Point: 510.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 262.4±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -4.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Surface Tension:
Molar Volume:

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