ChemSpider 2D Image | protoviolaceinic acid | C21H15N3O3

protoviolaceinic acid

  • Molecular FormulaC21H15N3O3
  • Average mass357.362 Da
  • Monoisotopic mass357.111328 Da
  • ChemSpider ID21430732

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)- [ACD/Index Name]
5-(5-Hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
5-(5-Hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
protoviolaceinic acid
C21134
protoviolaceinate
  • Miscellaneous

    • Chemical Class:

      A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1<element>H</element>-indol-3-yl group at at position 5 by a 5-hydroxy-1<element>H</element>-indol-3- yl group. ChEBI CHEBI:90897
      A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1H-indol-3-yl group at at position 5 by a 5-hydroxy-1H-indol-3-; yl group. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90897
      A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1H-indol-3-yl group at at position 5 by a 5-hydroxy-1H-indol-3-yl group. ChEBI CHEBI:90897

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

Density: 1.5±0.1 g/cm3
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: 1.835
Molar Refractivity: 103.2±0.3 cm3
#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: 105 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 88.2±3.0 dyne/cm
Molar Volume: 234.2±3.0 cm3

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