ChemSpider 2D Image | 2-Acetyl-6-[(2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propionyl-1,4-cyclohexadien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one | C22H26O8

2-Acetyl-6-[(2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propionyl-1,4-cyclohexadien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one

  • Molecular FormulaC22H26O8
  • Average mass418.437 Da
  • Monoisotopic mass418.162781 Da
  • ChemSpider ID57257158

More details:

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

2,5-Cyclohexadien-1-one, 2-acetyl-6-[[2,4-dihydroxy-3,3-dimethyl-6-oxo-5-(1-oxopropyl)-1,4-cyclohexadien-1-yl]methyl]-3,5-dihydroxy-4,4-dimethyl- [ACD/Index Name]
2-Acetyl-6-[(2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propionyl-1,4-cyclohexadien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
2-Acetyl-6-[(2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propionyl-1,4-cyclohexadien-1-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
2-Acétyl-6-[(2,4-dihydroxy-3,3-diméthyl-6-oxo-5-propionyl-1,4-cyclohexadién-1-yl)méthyl]-3,5-dihydroxy-4,4-diméthyl-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
2-acetyl-6-((2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propionylcyclohexa-1,4-dien-1-yl)methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
2-acetyl-6-((2,4-dihydroxy-3,3-dimethyl-6-oxo-5-propionylcyclohexa-1,4-dien-1-yl)methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dienone
59092-91-0 [RN]
Albaspidin AP
MFCD20527285

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 654.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.5 mmHg at 25°C
    Enthalpy of Vaporization: 110.4±6.0 kJ/mol
    Flash Point: 363.8±28.0 °C
    Index of Refraction: 1.614
    Molar Refractivity: 104.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): -0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.64
    ACD/LogD (pH 7.4): -1.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 149 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 65.4±3.0 dyne/cm
    Molar Volume: 300.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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