ChemSpider 2D Image | (1-Methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C28H32O14

(1-Methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC28H32O14
  • Average mass592.545 Da
  • Monoisotopic mass592.179199 Da
  • ChemSpider ID28286362

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1-Methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(1-Methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)methyl-6-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (1-méthoxy-9,10-dioxo-9,10-dihydro-2-anthracényl)méthyle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 2-[[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]methyl]-1-methoxy- [ACD/Index Name]
digiferruginol-1-methylether-11-O-b-gentiobioside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 911.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 301.0±27.8 °C
Index of Refraction: 1.691
Molar Refractivity: 138.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 0.51
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.91
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.91
Polar Surface Area: 222 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 95.4±5.0 dyne/cm
Molar Volume: 362.8±5.0 cm3

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