ChemSpider 2D Image | 5,7,7'-Trihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one | C25H24O7

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

  • Molecular FormulaC25H24O7
  • Average mass436.454 Da
  • Monoisotopic mass436.152191 Da
  • ChemSpider ID57641873

More details:






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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(7-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-6-(2-hydroxy-3-methyl-3-buten-1-yl)- [ACD/Index Name]
5,7,7'-Trihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-on [German] [ACD/IUPAC Name]
5,7,7'-Trihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one [ACD/IUPAC Name]
5,7,7'-Trihydroxy-6-(2-hydroxy-3-méthyl-3-butén-1-yl)-2',2'-diméthyl-2'H,4H-3,6'-bichromén-4-one [French] [ACD/IUPAC Name]
761456-87-5 [RN]
Kraussianone 7

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 687.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 237.3±25.0 °C
Index of Refraction: 1.654
Molar Refractivity: 117.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3403.87
ACD/KOC (pH 5.5): 11285.96
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 228.25
ACD/KOC (pH 7.4): 756.80
Polar Surface Area: 116 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 319.3±3.0 cm3

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