ChemSpider 2D Image | 8-Hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside | C24H22O12

8-Hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC24H22O12
  • Average mass502.424 Da
  • Monoisotopic mass502.111115 Da
  • ChemSpider ID10142221

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 8-hydroxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
8-Hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
8-Hydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside, 9,10-dihydro-8-hydroxy-6-methyl-9,10-dioxo-1-anthracenyl, 6-(2-carboxyacetate) [ACD/Index Name]
205107-13-7 [RN]
Chrysophanol 8-O-β-D-(6'-O-malonyl) glucopyranoside
Chrysophanol-8-o-β-d-(6'-o-malonyl)glucoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 856.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.4±3.0 kJ/mol
Flash Point: 295.0±27.8 °C
Index of Refraction: 1.675
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.10
ACD/LogD (pH 5.5): -1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 197 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 311.0±3.0 cm3

Click to predict properties on the Chemicalize site


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