ChemSpider 2D Image | 1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-buten-1-yl)-9H-xanthen-9-one | C18H16O6

1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-buten-1-yl)-9H-xanthen-9-one

  • Molecular FormulaC18H16O6
  • Average mass328.316 Da
  • Monoisotopic mass328.094696 Da
  • ChemSpider ID28283677

More details:

Featured data source
Natural Product Updates

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

1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-buten-1-yl)-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,3,7-Trihydroxy-2-(2-hydroxy-3-methyl-3-buten-1-yl)-9H-xanthen-9-one [ACD/IUPAC Name]
1,3,7-Trihydroxy-2-(2-hydroxy-3-méthyl-3-butén-1-yl)-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,3,7-trihydroxy-2-(2-hydroxy-3-methyl-3-buten-1-yl)- [ACD/Index Name]
1,3,7-trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)xanthone
1,3,7-trihydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-xanthone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 632.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 235.3±25.0 °C
Index of Refraction: 1.691
Molar Refractivity: 85.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 63.68
ACD/KOC (pH 5.5): 673.17
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 14.83
ACD/KOC (pH 7.4): 156.76
Polar Surface Area: 107 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 224.0±3.0 cm3

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