ChemSpider 2D Image | 2,2'-[(5-Benzoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-1H-inden-1-one) | C39H34O8

2,2'-[(5-Benzoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-1H-inden-1-one)

  • Molecular FormulaC39H34O8
  • Average mass630.682 Da
  • Monoisotopic mass630.225342 Da
  • ChemSpider ID59001221

More details:

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

1H-Inden-1-one, 2,2'-[(5-benzoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methylpropylidene)]bis[3-hydroxy- [ACD/Index Name]
2,2'-[(5-Benzoyl-2,4,6-trihydroxy-1,3-phenylen)bis(2-methyl-1,1-propandiyl)]bis(3-hydroxy-1H-inden-1-on) [German] [ACD/IUPAC Name]
2,2'-[(5-Benzoyl-2,4,6-trihydroxy-1,3-phenylene)bis(2-methyl-1,1-propanediyl)]bis(3-hydroxy-1H-inden-1-one) [ACD/IUPAC Name]
2,2'-[(5-Benzoyl-2,4,6-trihydroxy-1,3-phénylène)bis(2-méthyl-1,1-propanediyl)]bis(3-hydroxy-1H-indén-1-one) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 837.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 474.2±30.8 °C
Index of Refraction: 1.716
Molar Refractivity: 174.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 10.06
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 19.23
ACD/KOC (pH 5.5): 16.12
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 3.66
Polar Surface Area: 152 Å2
Polarizability: 69.3±0.5 10-24cm3
Surface Tension: 74.9±3.0 dyne/cm
Molar Volume: 444.4±3.0 cm3

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