ChemSpider 2D Image | (7R,8S,9S,10R)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol | C20H16O4

(7R,8S,9S,10R)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol

  • Molecular FormulaC20H16O4
  • Average mass320.339 Da
  • Monoisotopic mass320.104858 Da
  • ChemSpider ID48059005

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(7R,8S,9S,10R)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7,8,9,10-tetrol [German] [ACD/IUPAC Name]
(7R,8S,9S,10R)-7,8,9,10-Tetrahydrobenzo[pqr]tetraphene-7,8,9,10-tetrol [ACD/IUPAC Name]
(7R,8S,9S,10R)-7,8,9,10-Tétrahydrobenzo[pqr]tétraphène-7,8,9,10-tétrol [French] [ACD/IUPAC Name]
Benzo[a]pyrene-7,8,9,10-tetrol, 7,8,9,10-tetrahydro-, (7R,8S,9S,10R)- [ACD/Index Name]
(7R,8S,9S,10R)-7,8,9,10-tetrahydrobenzo[a]pyrene-7,8,9,10-tetrol
61490-67-3 [RN]

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

Click to predict properties on the Chemicalize site


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