ChemSpider 2D Image | 1-(6-{1-[3-Acetyl-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-methylbutyl}-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanone | C32H42O9

1-(6-{1-[3-Acetyl-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-methylbutyl}-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanone

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID76758293

More details:

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

1-(6-{1-[3-Acetyl-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-methylbutyl}-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanon [German] [ACD/IUPAC Name]
1-(6-{1-[3-Acetyl-2,6-dihydroxy-4-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]-3-methylbutyl}-3,5,7-trihydroxy-2,2-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanone [ACD/IUPAC Name]
1-(6-{1-[3-Acétyl-2,6-dihydroxy-4-méthoxy-5-(3-méthyl-2-butén-1-yl)phényl]-3-méthylbutyl}-3,5,7-trihydroxy-2,2-diméthyl-3,4-dihydro-2H-chromén-8-yl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[1-(8-acetyl-3,4-dihydro-3,5,7-trihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3-methylbutyl]-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 239.4±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 7.31
ACD/BCF (pH 5.5): 210619.11
ACD/KOC (pH 5.5): 224475.83
ACD/LogD (pH 7.4): 7.08
ACD/BCF (pH 7.4): 124686.78
ACD/KOC (pH 7.4): 132889.98
Polar Surface Area: 154 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 465.8±3.0 cm3

Click to predict properties on the Chemicalize site


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