ChemSpider 2D Image | 1,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-O-(carboxyacetyl)-beta-D-glucopyranoside | C24H22O13

1,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-O-(carboxyacetyl)-β-D-glucopyranoside

  • Molecular FormulaC24H22O13
  • Average mass518.424 Da
  • Monoisotopic mass518.106018 Da
  • ChemSpider ID9093594

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl 6-O-(carboxyacetyl)-β-D-glucopyranoside [ACD/IUPAC Name]
1,8-Dihydroxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenyl-6-O-(carboxyacetyl)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-β-D-glucopyranoside de 1,8-dihydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-2-anthracényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 9,10-dihydro-1,8-dihydroxy-3-methyl-9,10-dioxo-2-anthracenyl, 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: 865.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.8±3.0 kJ/mol
Flash Point: 296.9±27.8 °C
Index of Refraction: 1.693
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 3.56
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 217 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 93.5±3.0 dyne/cm
Molar Volume: 309.4±3.0 cm3

Click to predict properties on the Chemicalize site


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