ChemSpider 2D Image | 3,3'-{[2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylene]bis(methylene)}bis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one) | C29H34O10

3,3'-{[2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylene]bis(methylene)}bis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one)

  • Molecular FormulaC29H34O10
  • Average mass542.574 Da
  • Monoisotopic mass542.215210 Da
  • ChemSpider ID35015150

More details:

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

2H-Pyran-2-one, 3,3'-[[2,4,6-trihydroxy-5-(2-methyl-1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[6-ethyl-4-hydroxy-5-methyl- [ACD/Index Name]
3,3'-{[2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylen]dimethylen}bis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-on) [German] [ACD/IUPAC Name]
3,3'-{[2,4,6-Trihydroxy-5-(2-methylbutanoyl)-1,3-phenylene]bis(methylene)}bis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one) [ACD/IUPAC Name]
3,3'-{[2,4,6-Trihydroxy-5-(2-méthylbutanoyl)-1,3-phénylène]diméthylène}bis(6-éthyl-4-hydroxy-5-méthyl-2H-pyran-2-one) [French] [ACD/IUPAC Name]
6-ethyl-3-({3-[(6-ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl)methyl]-2,4,6-trihydroxy-5-(2-methylbutanoyl)phenyl}methyl)-4-hydroxy-5-methyl-2H-pyran-2-one
6-ethyl-3-({3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-2,4,6-trihydroxy-5-(2-methylbutanoyl)phenyl}methyl)-4-hydroxy-5-methylpyran-2-one
75680-22-7 [RN]
Italidipyrone

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 251.9±26.4 °C
Index of Refraction: 1.626
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 1636.90
ACD/KOC (pH 5.5): 4887.33
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 398.1±3.0 cm3

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