ChemSpider 2D Image | 1,3,6-Trihydroxy-4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one | C39H48O7

1,3,6-Trihydroxy-4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

  • Molecular FormulaC39H48O7
  • Average mass628.794 Da
  • Monoisotopic mass628.340027 Da
  • ChemSpider ID58969034

More details:

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

1,3,6-Trihydroxy-4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-on [German] [ACD/IUPAC Name]
1,3,6-Trihydroxy-4-[4-hydroxy-3,5-bis(2-methyl-2-propanyl)benzyl]-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one [ACD/IUPAC Name]
1,3,6-Trihydroxy-4-[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)benzyl]-7-méthoxy-2,8-bis(3-méthyl-2-butén-1-yl)-9H-xanthén-9-one [French] [ACD/IUPAC Name]
9H-Xanthen-9-one, 4-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methyl-2-buten-1-yl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 754.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 227.8±26.4 °C
Index of Refraction: 1.597
Molar Refractivity: 182.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.07
ACD/LogD (pH 5.5): 9.83
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5216831.00
ACD/LogD (pH 7.4): 9.23
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1321210.88
Polar Surface Area: 116 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 535.6±3.0 cm3

Click to predict properties on the Chemicalize site


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