ChemSpider 2D Image | 3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-L-glucopyranoside | C21H20O10

3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-L-glucopyranoside

  • Molecular FormulaC21H20O10
  • Average mass432.378 Da
  • Monoisotopic mass432.105652 Da
  • ChemSpider ID57620521

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-L-glucopyranoside [ACD/IUPAC Name]
3,8-Dihydroxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-L-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-(β-L-glucopyranosyloxy)-3,8-dihydroxy-6-methyl- [ACD/Index Name]
β-L-Glucopyranoside de 3,8-dihydroxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
23313-21-5 [RN]
Emodin-8-O-?-D-glucopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 798.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 284.2±26.4 °C
Index of Refraction: 1.725
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 3.87
ACD/KOC (pH 5.5): 85.92
ACD/LogD (pH 7.4): -0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 174 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 95.8±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

Click to predict properties on the Chemicalize site


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