ChemSpider 2D Image | Idescarpin | C20H24O11

Idescarpin

  • Molecular FormulaC20H24O11
  • Average mass440.398 Da
  • Monoisotopic mass440.131866 Da
  • ChemSpider ID34501314

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S)-1-Hydroxy-6-oxo-2-cyclohexène-1-carboxylate de 2-(β-D-glucopyranosyloxy)-3-hydroxybenzyle [French] [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-3-hydroxybenzyl (1S)-1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate [ACD/IUPAC Name]
2-(β-D-Glucopyranosyloxy)-3-hydroxybenzyl-(1S)-1-hydroxy-6-oxo-2-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]methyl ester, (1S)- [ACD/Index Name]
Idescarpin

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

Density: 1.6±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 249.4±26.4 °C
Index of Refraction: 1.662
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -2.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): -2.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.68
Polar Surface Area: 183 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 90.3±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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