ChemSpider 2D Image | 5-Hydroxy-4-oxo-3-phenyl-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-L-glucopyranoside | C24H22O12

5-Hydroxy-4-oxo-3-phenyl-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-L-glucopyranoside

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID8634130

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

5-Hydroxy-4-oxo-3-phenyl-4H-chromen-7-yl 6-O-(carboxyacetyl)-β-L-glucopyranoside [ACD/IUPAC Name]
5-Hydroxy-4-oxo-3-phenyl-4H-chromen-7-yl-6-O-(carboxyacetyl)-β-L-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-L-glucopyranoside de 5-hydroxy-4-oxo-3-phényl-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-L-Glucopyranoside, 5-hydroxy-4-oxo-3-phenyl-4H-1-benzopyran-7-yl, 6-(2-carboxyacetate) [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 832.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 286.5±27.8 °C
Index of Refraction: 1.669
Molar Refractivity: 117.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -1.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 82.7±3.0 dyne/cm
Molar Volume: 314.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement