ChemSpider 2D Image | Glyurallin B | C25H26O6

Glyurallin B

  • Molecular FormulaC25H26O6
  • Average mass422.470 Da
  • Monoisotopic mass422.172943 Da
  • ChemSpider ID23551357

More details:

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

199331-53-8 [RN]
3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[3,4-Dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-4H-chromen-4-one [ACD/IUPAC Name]
3-[3,4-Dihydroxy-5-(3-méthyl-2-butén-1-yl)phényl]-5,7-dihydroxy-8-(3-méthyl-2-butén-1-yl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[3,4-dihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
Glyurallin B
3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one
3-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)chromen-4-one

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: 1.3±0.1 g/cm3
Boiling Point: 665.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 228.2±25.0 °C
Index of Refraction: 1.650
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6231.79
ACD/KOC (pH 5.5): 17543.41
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 593.11
ACD/KOC (pH 7.4): 1669.70
Polar Surface Area: 107 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 324.5±3.0 cm3

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