ChemSpider 2D Image | 1-[3-{1-[7-Acetyl-4,6-dihydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-3-methylbutyl}-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanone | C32H42O9

1-[3-{1-[7-Acetyl-4,6-dihydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-3-methylbutyl}-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanone

  • Molecular FormulaC32H42O9
  • Average mass570.670 Da
  • Monoisotopic mass570.282898 Da
  • ChemSpider ID356559

More details:

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

1-[3-{1-[7-Acetyl-4,6-dihydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-3-methylbutyl}-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanon [German] [ACD/IUPAC Name]
1-[3-{1-[7-Acetyl-4,6-dihydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-3-methylbutyl}-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]ethanone [ACD/IUPAC Name]
1-[3-{1-[7-Acétyl-4,6-dihydroxy-2-(2-hydroxy-2-propanyl)-2,3-dihydro-1-benzofuran-5-yl]-3-méthylbutyl}-2,4-dihydroxy-6-méthoxy-5-(3-méthyl-2-butén-1-yl)phényl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[3-[1-[7-acetyl-2,3-dihydro-4,6-dihydroxy-2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-3-methylbutyl]-2,4-dihydroxy-6-methoxy-5-(3-methyl-2-buten-1-yl)phenyl]- [ACD/Index Name]
Acrofolione B

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

NCI60_040249 [DBID]
NSC716405 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 757.7±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: 239.5±26.4 °C
Index of Refraction: 1.593
Molar Refractivity: 155.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 7.91
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 132938.88
ACD/KOC (pH 5.5): 161430.95
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 74146.30
ACD/KOC (pH 7.4): 90037.70
Polar Surface Area: 154 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 459.9±3.0 cm3

Click to predict properties on the Chemicalize site


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