ChemSpider 2D Image | (1aS,2R,3S,11cR)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol | C18H14O3

(1aS,2R,3S,11cR)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol

  • Molecular FormulaC18H14O3
  • Average mass278.302 Da
  • Monoisotopic mass278.094299 Da
  • ChemSpider ID21782082

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

syn-Benzo(a)anthracene-3,4-diol-1,2-oxide
(1aS,2R,3S,11cR)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxiren-2,3-diol [German] [ACD/IUPAC Name]
(1aS,2R,3S,11cR)-1a,2,3,11c-Tetrahydrotetrapheno[1,2-b]oxirene-2,3-diol [ACD/IUPAC Name]
(1aS,2R,3S,11cR)-1a,2,3,11c-Tétrahydrotétraphéno[1,2-b]oxirène-2,3-diol [French] [ACD/IUPAC Name]
Benzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol, 1a,2,3,11c-tetrahydro-, (1aS,2R,3S,11cR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 567.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.815
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.84
ACD/KOC (pH 5.5): 1005.50
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.84
ACD/KOC (pH 7.4): 1005.50
Polar Surface Area: 53 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 188.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement