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Search term: 23275363 (Found by CSID)
ChemSpider 2D Image | 2-(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-4-propionyl-2,4-cyclohexadien-1-one | C23H28O8

2-(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-4-propionyl-2,4-cyclohexadien-1-one

  • Molecular FormulaC23H28O8
  • Average mass432.464 Da
  • Monoisotopic mass432.178406 Da
  • ChemSpider ID23275363

More details:

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

2-(3-butanoyl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-4-propanoylcyclohexa-2,4-dien-1-one
2-(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-4-propionyl-2,4-cyclohexadien-1-on [German] [ACD/IUPAC Name]
2-(3-Butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethyl-4-propionyl-2,4-cyclohexadien-1-one [ACD/IUPAC Name]
2-(3-Butyryl-2,4,6-trihydroxy-5-méthylbenzyl)-3,5-dihydroxy-6,6-diméthyl-4-propionyl-2,4-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2,4-cyclohexadien-1-one, 3,5-dihydroxy-6,6-dimethyl-4-(1-oxopropyl)-2-[[2,4,6-trihydroxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]- [ACD/Index Name]
flavaspidic acid-PB

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

Density: 1.4±0.1 g/cm3
Boiling Point: 623.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 344.7±28.0 °C
Index of Refraction: 1.629
Molar Refractivity: 112.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 23.33
ACD/KOC (pH 5.5): 125.05
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.06
Polar Surface Area: 152 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 316.1±3.0 cm3

Click to predict properties on the Chemicalize site


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