ChemSpider 2D Image | 5,5',7-Trihydroxy-2',2'-dimethyl-8-(3-methyl-2-buten-1-yl)-2'H,4H-3,6'-bichromen-4-one | C25H24O6

5,5',7-Trihydroxy-2',2'-dimethyl-8-(3-methyl-2-buten-1-yl)-2'H,4H-3,6'-bichromen-4-one

  • Molecular FormulaC25H24O6
  • Average mass420.454 Da
  • Monoisotopic mass420.157288 Da
  • ChemSpider ID76750036

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
5,5',7-Trihydroxy-2',2'-dimethyl-8-(3-methyl-2-buten-1-yl)-2'H,4H-3,6'-bichromen-4-on [German] [ACD/IUPAC Name]
5,5',7-Trihydroxy-2',2'-dimethyl-8-(3-methyl-2-buten-1-yl)-2'H,4H-3,6'-bichromen-4-one [ACD/IUPAC Name]
5,5',7-Trihydroxy-2',2'-diméthyl-8-(3-méthyl-2-butén-1-yl)-2'H,4H-3,6'-bichromén-4-one [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 628.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 216.1±25.0 °C
Index of Refraction: 1.645
Molar Refractivity: 115.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 5.97
ACD/BCF (pH 5.5): 19673.66
ACD/KOC (pH 5.5): 39976.41
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 1820.14
ACD/KOC (pH 7.4): 3698.48
Polar Surface Area: 96 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 319.9±3.0 cm3

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