ChemSpider 2D Image | Xanthepinone | C16H12O8

Xanthepinone

  • Molecular FormulaC16H12O8
  • Average mass332.262 Da
  • Monoisotopic mass332.053223 Da
  • ChemSpider ID22194299

More details:

Featured data source
Natural Product Updates

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

5,7-Dihydroxy-3-méthyl-4,6-dioxo-4,5-dihydro-6H-oxépino[2,3-b]chromène-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
6H-Oxepino[2,3-b][1]benzopyran-5-carboxylic acid, 4,5-dihydro-5,7-dihydroxy-3-methyl-4,6-dioxo-, methyl ester [ACD/Index Name]
Methyl 5,7-dihydroxy-3-methyl-4,6-dioxo-4,5-dihydro-6H-oxepino[2,3-b]chromene-5-carboxylate [ACD/IUPAC Name]
Methyl-5,7-dihydroxy-3-methyl-4,6-dioxo-4,5-dihydro-6H-oxepino[2,3-b]chromen-5-carboxylat [German] [ACD/IUPAC Name]
Xanthepinone

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

Density: 1.6±0.1 g/cm3
Boiling Point: 533.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 199.9±23.6 °C
Index of Refraction: 1.666
Molar Refractivity: 76.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.75
ACD/KOC (pH 5.5): 429.33
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 12.39
ACD/KOC (pH 7.4): 157.62
Polar Surface Area: 119 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 206.4±5.0 cm3

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