ChemSpider 2D Image | (7R,8S,9R,10R)-(1,2,3,4,5,6,11,12-~2~H_8_)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol | C20H8D8O4

(7R,8S,9R,10R)-(1,2,3,4,5,6,11,12-2H8)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol

  • Molecular FormulaC20H8D8O4
  • Average mass328.388 Da
  • Monoisotopic mass328.155060 Da
  • ChemSpider ID58781302

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(7R,8S,9R,10R)-(1,2,3,4,5,6,11,12-2H8)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7,8,9,10-tetrol [German] [ACD/IUPAC Name]
(7R,8S,9R,10R)-(1,2,3,4,5,6,11,12-2H8)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol [ACD/IUPAC Name]
(7R,8S,9R,10R)-(1,2,3,4,5,6,11,12-2H8)-7,8,9,10-Tétrahydrobenzo[pqr]tétraphène-7,8,9,10-tétrol [French] [ACD/IUPAC Name]
Benzo[a]pyrene-1,2,3,4,5,6,11,12-d8-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9R,10R)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 589.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 283.2±24.7 °C
Index of Refraction: 1.959
Molar Refractivity: 95.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 100.05
ACD/KOC (pH 5.5): 940.55
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 100.05
ACD/KOC (pH 7.4): 940.54
Polar Surface Area: 81 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 88.1±3.0 dyne/cm
Molar Volume: 196.8±3.0 cm3

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