ChemSpider 2D Image | 1,4,8,9a-Tetrahydroxy-4a,6-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one | C15H18O6

1,4,8,9a-Tetrahydroxy-4a,6-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one

  • Molecular FormulaC15H18O6
  • Average mass294.300 Da
  • Monoisotopic mass294.110352 Da
  • ChemSpider ID28283167

More details:

Featured data source
Natural Product Updates

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

1,4,8,9a-Tetrahydroxy-4a,6-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,4,8,9a-Tetrahydroxy-4a,6-dimethyl-1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one [ACD/IUPAC Name]
1,4,8,9a-Tétrahydroxy-4a,6-diméthyl-1,2,3,4,4a,9a-hexahydro-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 1,2,3,4,4a,9a-hexahydro-1,4,8,9a-tetrahydroxy-4a,6-dimethyl- [ACD/Index Name]
Diversonol

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 205.4±23.6 °C
Index of Refraction: 1.686
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.23
ACD/KOC (pH 5.5): 522.41
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 22.03
ACD/KOC (pH 7.4): 260.25
Polar Surface Area: 107 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 86.3±3.0 dyne/cm
Molar Volume: 190.9±3.0 cm3

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