ChemSpider 2D Image | (1R,1'R,2R,2'R)-2,2',4,4'-Tetrahydroxy-1,1'-diisopropyl-6,6'-dimethyl-1,1',2,2'-tetrahydro-3H,3'H-5,5'-biindene-3,3'-dione | C26H30O6

(1R,1'R,2R,2'R)-2,2',4,4'-Tetrahydroxy-1,1'-diisopropyl-6,6'-dimethyl-1,1',2,2'-tetrahydro-3H,3'H-5,5'-biindene-3,3'-dione

  • Molecular FormulaC26H30O6
  • Average mass438.513 Da
  • Monoisotopic mass438.204254 Da
  • ChemSpider ID62317454

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,1'R,2R,2'R)-2,2',4,4'-Tetrahydroxy-1,1'-diisopropyl-6,6'-dimethyl-1,1',2,2'-tetrahydro-3H,3'H-5,5'-biinden-3,3'-dion [German] [ACD/IUPAC Name]
(1R,1'R,2R,2'R)-2,2',4,4'-Tetrahydroxy-1,1'-diisopropyl-6,6'-dimethyl-1,1',2,2'-tetrahydro-3H,3'H-5,5'-biindene-3,3'-dione [ACD/IUPAC Name]
(1R,1'R,2R,2'R)-2,2',4,4'-Tétrahydroxy-1,1'-diisopropyl-6,6'-diméthyl-1,1',2,2'-tétrahydro-3H,3'H-5,5'-biindène-3,3'-dione [French] [ACD/IUPAC Name]
[5,5'-Bi-1H-indene]-3,3'(2H,2'H)-dione, 2,2',4,4'-tetrahydroxy-6,6'-dimethyl-1,1'-bis(1-methylethyl)-, (1R,1'R,2R,2'R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 337.3±28.0 °C
Index of Refraction: 1.637
Molar Refractivity: 119.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2894.30
ACD/KOC (pH 5.5): 10455.01
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2816.42
ACD/KOC (pH 7.4): 10173.67
Polar Surface Area: 115 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 333.5±3.0 cm3

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