ChemSpider 2D Image | 4-Hydroxy-3,8-dimethoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C29H34O16

4-Hydroxy-3,8-dimethoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC29H34O16
  • Average mass638.571 Da
  • Monoisotopic mass638.184692 Da
  • ChemSpider ID8874643

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-Hydroxy-3,8-dimethoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Hydroxy-3,8-dimethoxy-6-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4-hydroxy-3,8-diméthoxy-6-méthyl-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 4-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-1-hydroxy-2,5-dimethoxy-7-methyl- [ACD/Index Name]
8-O-β-D-gentiobioside of xanthorin 1-O-methyl ether

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

Density: 1.7±0.1 g/cm3
Boiling Point: 993.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.8±3.0 kJ/mol
Flash Point: 323.7±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.22
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.61
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 251 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 100.8±5.0 dyne/cm
Molar Volume: 380.6±5.0 cm3

Click to predict properties on the Chemicalize site


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