ChemSpider 2D Image | (2R,4R,7S,9S)-5,6-Diphenylhexacyclo[8.6.6.0~2,9~.0~4,7~.0~11,16~.0~17,22~]docosa-5,11,13,15,17,19,21-heptaene-3,8-dione | C34H24O2

(2R,4R,7S,9S)-5,6-Diphenylhexacyclo[8.6.6.02,9.04,7.011,16.017,22]docosa-5,11,13,15,17,19,21-heptaene-3,8-dione

  • Molecular FormulaC34H24O2
  • Average mass464.553 Da
  • Monoisotopic mass464.177643 Da
  • ChemSpider ID62686320

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,4R,7S,9S)-5,6-Diphenylhexacyclo[8.6.6.02,9.04,7.011,16.017,22]docosa-5,11,13,15,17,19,21-heptaen-3,8-dion [German] [ACD/IUPAC Name]
(2R,4R,7S,9S)-5,6-Diphenylhexacyclo[8.6.6.02,9.04,7.011,16.017,22]docosa-5,11,13,15,17,19,21-heptaene-3,8-dione [ACD/IUPAC Name]
(2R,4R,7S,9S)-5,6-Diphénylhexacyclo[8.6.6.02,9.04,7.011,16.017,22]docosa-5,11,13,15,17,19,21-heptaène-3,8-dione [French] [ACD/IUPAC 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: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 240.8±28.5 °C
Index of Refraction: 1.690
Molar Refractivity: 138.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 199086.25
ACD/KOC (pH 5.5): 216087.45
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 199086.25
ACD/KOC (pH 7.4): 216087.45
Polar Surface Area: 34 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

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