ChemSpider 2D Image | 5-{[3,8-Dihydroxy-6-(hydroxymethyl)-1-methyl-9-oxo-9H-xanthen-4-yl]oxy}-2,3,4,6-tetrahydroxy-1-methoxy-8-methyl-9H-xanthen-9-one | C30H22O13

5-{[3,8-Dihydroxy-6-(hydroxymethyl)-1-methyl-9-oxo-9H-xanthen-4-yl]oxy}-2,3,4,6-tetrahydroxy-1-methoxy-8-methyl-9H-xanthen-9-one

  • Molecular FormulaC30H22O13
  • Average mass590.488 Da
  • Monoisotopic mass590.106018 Da
  • ChemSpider ID78435227

More details:

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

5-{[3,8-Dihydroxy-6-(hydroxymethyl)-1-methyl-9-oxo-9H-xanthen-4-yl]oxy}-2,3,4,6-tetrahydroxy-1-methoxy-8-methyl-9H-xanthen-9-on [German] [ACD/IUPAC Name]
5-{[3,8-Dihydroxy-6-(hydroxymethyl)-1-methyl-9-oxo-9H-xanthen-4-yl]oxy}-2,3,4,6-tetrahydroxy-1-methoxy-8-methyl-9H-xanthen-9-one [ACD/IUPAC Name]
5-{[3,8-Dihydroxy-6-(hydroxyméthyl)-1-méthyl-9-oxo-9H-xanthén-4-yl]oxy}-2,3,4,6-tétrahydroxy-1-méthoxy-8-méthyl-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 5-[[3,8-dihydroxy-6-(hydroxymethyl)-1-methyl-9-oxo-9H-xanthen-4-yl]oxy]-2,3,4,6-tetrahydroxy-1-methoxy-8-methyl- [ACD/Index Name]
Austradixanthone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4522416/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 884.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.7±3.0 kJ/mol
Flash Point: 294.6±27.8 °C
Index of Refraction: 1.771
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.09
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 13.48
ACD/KOC (pH 5.5): 187.35
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 213 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 94.3±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

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