ChemSpider 2D Image | Bussealin A | C17H20O6

Bussealin A

  • Molecular FormulaC17H20O6
  • Average mass320.337 Da
  • Monoisotopic mass320.125977 Da
  • ChemSpider ID26375765

More details:

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

1,2-Benzenediol, 3-[3-(3,5-dihydroxy-4-methoxyphenyl)propyl]-6-methoxy- [ACD/Index Name]
3-[3-(3,5-Dihydroxy-4-methoxyphenyl)propyl]-6-methoxy-1,2-benzenediol [ACD/IUPAC Name]
3-[3-(3,5-Dihydroxy-4-méthoxyphényl)propyl]-6-méthoxy-1,2-benzènediol [French] [ACD/IUPAC Name]
3-[3-(3,5-Dihydroxy-4-methoxyphenyl)propyl]-6-methoxy-1,2-benzoldiol [German] [ACD/IUPAC Name]
Bussealin A
3',5',2'',3''-Tetrahydroxy-4',4''-dimethoxy-1,3-diphenylpropane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 287.6±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.19
ACD/KOC (pH 5.5): 319.98
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.83
ACD/KOC (pH 7.4): 314.83
Polar Surface Area: 99 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 241.2±3.0 cm3

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