ChemSpider 2D Image | 6-(D-glucosyloxy)indole-3-carboxylic acid | C15H17NO8

6-(D-glucosyloxy)indole-3-carboxylic acid

  • Molecular FormulaC15H17NO8
  • Average mass339.297 Da
  • Monoisotopic mass339.095428 Da
  • ChemSpider ID28532791

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1H-Indole-3-carboxylic acid, 6-(D-glucopyranosyloxy)- [ACD/Index Name]
6-(D-Glucopyranosyloxy)-1H-indol-3-carbonsäure [German] [ACD/IUPAC Name]
6-(D-Glucopyranosyloxy)-1H-indole-3-carboxylic acid [ACD/IUPAC Name]
6-(D-glucosyloxy)indole-3-carboxylic acid
Acide 6-(D-glucopyranosyloxy)-1H-indole-3-carboxylique [French] [ACD/IUPAC Name]
6-GlcO-I3CO2H
6-glucosyloxyindole-3-carboxylic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 725.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.5±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.90
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 91.3±3.0 dyne/cm
Molar Volume: 201.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement