ChemSpider 2D Image | 9-[4-Hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one | C27H32O7

9-[4-Hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one

  • Molecular FormulaC27H32O7
  • Average mass468.539 Da
  • Monoisotopic mass468.214813 Da
  • ChemSpider ID78444654

More details:

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

6-Oxabicyclo[3.2.2]nonan-2-one, 9-[4-hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)- [ACD/Index Name]
9-[4-Hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-on [German] [ACD/IUPAC Name]
9-[4-Hydroxy-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-yl]-5-methyl-1-(4-methyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one [ACD/IUPAC Name]
9-[4-Hydroxy-6-(4-méthoxyphényl)-2-oxo-2H-pyran-3-yl]-5-méthyl-1-(4-méthyl-3-oxopentyl)-6-oxabicyclo[3.2.2]nonan-2-one [French] [ACD/IUPAC Name]
yaminterritrem A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 207.2±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 123.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 32.17
ACD/KOC (pH 5.5): 280.67
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.03
Polar Surface Area: 99 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 372.2±3.0 cm3

Click to predict properties on the Chemicalize site


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