ChemSpider 2D Image | 5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside | C24H22O13

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID9235521

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 5-hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-6-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl, 6-(2-carboxyacetate) [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 859.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 294.9±27.8 °C
Index of Refraction: 1.687
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 89.9±3.0 dyne/cm
Molar Volume: 313.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement