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Search term: 28536050 (Found by CSID)
ChemSpider 2D Image | asperterone B | C22H22O6

asperterone B

  • Molecular FormulaC22H22O6
  • Average mass382.406 Da
  • Monoisotopic mass382.141632 Da
  • ChemSpider ID28536050

More details:

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2,5-Furandione, 3-[[4-hydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]methyl]-4-(4-hydroxyphenyl)- [ACD/Index Name]
3-[4-Hydroxy-3-(3-hydroxy-3-methylbutyl)benzyl]-4-(4-hydroxyphenyl)-2,5-furandion [German] [ACD/IUPAC Name]
3-[4-Hydroxy-3-(3-hydroxy-3-methylbutyl)benzyl]-4-(4-hydroxyphenyl)-2,5-furandione [ACD/IUPAC Name]
3-[4-Hydroxy-3-(3-hydroxy-3-méthylbutyl)benzyl]-4-(4-hydroxyphényl)-2,5-furanedione [French] [ACD/IUPAC Name]
asperterone B
Aperterone B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 226.1±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.47
ACD/KOC (pH 5.5): 895.82
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.62
ACD/KOC (pH 7.4): 887.62
Polar Surface Area: 104 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 65.9±3.0 dyne/cm
Molar Volume: 281.3±3.0 cm3

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