Found 1 result

Search term: protoviolaceinate (Found by synonym)

ChemSpider 2D Image | 5-(5-Hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate | C21H14N3O3


  • Molecular FormulaC21H14N3O3
  • Average mass356.355 Da
  • Monoisotopic mass356.104065 Da
  • ChemSpider ID58164116
  • Charge - Charge

More details:

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

1H-Pyrrole-2-carboxylic acid, 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-, ion(1-) [ACD/Index Name]
5-(5-Hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
5-(5-Hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
5-(5-Hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate [French] [ACD/IUPAC Name]
  • Miscellaneous
    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of protoviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. ChEBI CHEBI:90898

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

Boiling Point: 784.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 428.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 26.56
ACD/KOC (pH 5.5): 182.43
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.95
Polar Surface Area: 108 Å2
Surface Tension:
Molar Volume:

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