ChemSpider 2D Image | 4-[1-Acetoxy-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxo-4H-chromen-2-yl)ethyl]-1,2-phenylene diacetate | C28H30O12

4-[1-Acetoxy-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxo-4H-chromen-2-yl)ethyl]-1,2-phenylene diacetate

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID467628

More details:

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

4-[1-Acetoxy-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxo-4H-chromen-2-yl)ethyl]-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4-[1-Acetoxy-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxo-4H-chromen-2-yl)ethyl]-1,2-phenylene diacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]ethyl]-5,6,7,8-tetramethoxy-3-methyl- [ACD/Index Name]
Diacétate de 4-[1-acétoxy-2-(5,6,7,8-tétraméthoxy-3-méthyl-4-oxo-4H-chromén-2-yl)éthyl]-1,2-phénylène [French] [ACD/IUPAC Name]
2-(Acetyloxy)-4-[1-(acetyloxy)-2-(5,6,7,8-tetramethoxy-3-methyl-4-oxo-4H-chromen-2-yl)ethyl]phenyl acetate
Chromone, 2-[2-acetoxy-2-[3,5-diacetoxyphenyl]ethyl]-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 691.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 290.5±31.5 °C
Index of Refraction: 1.543
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.20
ACD/KOC (pH 5.5): 1066.11
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.20
ACD/KOC (pH 7.4): 1066.11
Polar Surface Area: 142 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 439.9±3.0 cm3

Click to predict properties on the Chemicalize site


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