ChemSpider 2D Image | 8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside | C33H40O19

8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside

  • Molecular FormulaC33H40O19
  • Average mass740.659 Da
  • Monoisotopic mass740.216370 Da
  • ChemSpider ID103884782

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

120181-07-9 [RN]
8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside [ACD/IUPAC Name]
8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-[[O-β-D-glucopyranosyl-(1->3)-O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl]oxy]-8-hydroxy-3-methyl- [ACD/Index Name]
β-D-Glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranoside de 8-hydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
1-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-hydroxy-3-methylanthracene-9,10-dione
Chrysophanol triglucoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1112.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 171.4±3.0 kJ/mol
Flash Point: 350.9±27.8 °C
Index of Refraction: 1.728
Molar Refractivity: 167.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -1.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.97
ACD/LogD (pH 7.4): -2.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 115.5±5.0 dyne/cm
Molar Volume: 421.2±5.0 cm3

Click to predict properties on the Chemicalize site


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