ChemSpider 2D Image | 8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl beta-D-allopyranosyl-(1->6)-beta-D-allopyranosyl-(1->3)-beta-D-allopyranosyl-(1->6)-beta-D-allopyranoside | C39H50O24

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

  • Molecular FormulaC39H50O24
  • Average mass902.800 Da
  • Monoisotopic mass902.269226 Da
  • ChemSpider ID10145732

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl β-D-allopyranosyl-(1->6)-β-D-allopyranosyl-(1->3)-β-D-allopyranosyl-(1->6)-β-D-allopyranoside [ACD/IUPAC Name]
8-Hydroxy-3-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-β-D-allopyranosyl-(1->6)-β-D-allopyranosyl-(1->3)-β-D-allopyranosyl-(1->6)-β-D-allopyranosid [German] [ACD/IUPAC Name]
9,10-Anthracenedione, 1-[[O-β-D-allopyranosyl-(1->6)-O-β-D-allopyranosyl-(1->3)-O-β-D-allopyranosyl-(1->6)-β-D-allopyranosyl]oxy]-8-hydroxy-3-methyl- [ACD/Index Name]
β-D-Allopyranosyl-(1->6)-β-D-allopyranosyl-(1->3)-β-D-allopyranosyl-(1->6)-β-D-allopyranoside de 8-hydroxy-3-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
1-[(β-D-Glucopyranosyl-(1-->6)-O-β-D-glucopyranosyl-(1-->3)-O-β-D-glucopyranosyl-(1-->6)-O-β-D-glucopyranosyl)oxy]-8-hydroxy-3-methyl-9,10-anthraquinone

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1246.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 194.7±3.0 kJ/mol
Flash Point: 375.4±27.8 °C
Index of Refraction: 1.731
Molar Refractivity: 201.5±0.4 cm3
#H bond acceptors: 24
#H bond donors: 14
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.58
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 391 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 121.2±5.0 dyne/cm
Molar Volume: 504.4±5.0 cm3

Click to predict properties on the Chemicalize site


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