ChemSpider 2D Image | (4R)-2-Acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxo-1,5-cyclohexadien-1-olate | C18H17O7

(4R)-2-Acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxo-1,5-cyclohexadien-1-olate

  • Molecular FormulaC18H17O7
  • Average mass345.324 Da
  • Monoisotopic mass345.097961 Da
  • ChemSpider ID26331357

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxo-1,5-cyclohexadien-1-olat [German] [ACD/IUPAC Name]
(4R)-2-Acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxo-1,5-cyclohexadien-1-olate [ACD/IUPAC Name]
(4R)-2-Acétyl-4-(3-acétyl-2,4,6-trihydroxy-5-méthylphényl)-4-méthyl-3-oxo-1,5-cyclohexadién-1-olate [French] [ACD/IUPAC Name]
2,4-Cyclohexadien-1-one, 2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methyl-, ion(1-), (6R)- [ACD/Index Name]
(4R)-2-acetyl-4-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-4-methyl-3-oxocyclohexa-1,5-dien-1-olate
(6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one
  • Miscellaneous

    • Chemical Class:

      Conjugate base of (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one. ChEBI CHEBI:58781

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

Density:
Boiling Point: 586.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 322.6±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.45
ACD/KOC (pH 5.5): 33.37
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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