ChemSpider 2D Image | 4-Hydroxy-6-(hydroxymethyl)-3,8-dimethoxy-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-hexopyranosylhexopyranoside | C29H34O17

4-Hydroxy-6-(hydroxymethyl)-3,8-dimethoxy-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-hexopyranosylhexopyranoside

  • Molecular FormulaC29H34O17
  • Average mass654.570 Da
  • Monoisotopic mass654.179626 Da
  • ChemSpider ID78444572

More details:

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

4-Hydroxy-6-(hydroxymethyl)-3,8-dimethoxy-9,10-dioxo-9,10-dihydro-1-anthracenyl 6-O-hexopyranosylhexopyranoside [ACD/IUPAC Name]
4-Hydroxy-6-(hydroxymethyl)-3,8-dimethoxy-9,10-dioxo-9,10-dihydro-1-anthracenyl-6-O-hexopyranosylhexopyranosid [German] [ACD/IUPAC Name]
6-O-Hexopyranosylhexopyranoside de 4-hydroxy-6-(hydroxyméthyl)-3,8-diméthoxy-9,10-dioxo-9,10-dihydro-1-anthracényle [French] [ACD/IUPAC Name]
9,10-Anthracenedione, 4-[(6-O-hexopyranosylhexopyranosyl)oxy]-1-hydroxy-7-(hydroxymethyl)-2,5-dimethoxy- [ACD/Index Name]
Xanthorin 1-O-methyl ether 8-O-β-D-ge

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1039.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.2±3.0 kJ/mol
Flash Point: 337.4±27.8 °C
Index of Refraction: 1.714
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.60
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 272 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 109.8±5.0 dyne/cm
Molar Volume: 377.7±5.0 cm3

Click to predict properties on the Chemicalize site


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