ChemSpider 2D Image | 3,3,6,6-Tetramethyl-9-(2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione | C31H34O6

3,3,6,6-Tetramethyl-9-(2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

  • Molecular FormulaC31H34O6
  • Average mass502.598 Da
  • Monoisotopic mass502.235535 Da
  • ChemSpider ID336001

More details:

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

1H-Xanthene-1,8(2H)-dione, 3,4,5,6,7,9-hexahydro-3,3,6,6-tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]- [ACD/Index Name]
3,3,6,6-Tetramethyl-9-(2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
3,3,6,6-Tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]-3,4,5,6,7,9-hexahydro-1H-xanthen-1,8(2H)-dion [German] [ACD/IUPAC Name]
3,3,6,6-Tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione [ACD/IUPAC Name]
3,3,6,6-Tétraméthyl-9-[2-phényl-2-(2,3,4-trihydroxyphényl)éthyl]-3,4,5,6,7,9-hexahydro-1H-xanthène-1,8(2H)-dione [French] [ACD/IUPAC Name]

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

AIDS143214 [DBID]
AIDS-143214 [DBID]
NCI60_021831 [DBID]
NSC663611 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 228.2±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 138.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2000.42
ACD/KOC (pH 5.5): 8026.14
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1959.94
ACD/KOC (pH 7.4): 7863.75
Polar Surface Area: 104 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

Click to predict properties on the Chemicalize site


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