ChemSpider 2D Image | (11S,12S,13S)-11,12,13,14-Tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol | C24H18O3

(11S,12S,13S)-11,12,13,14-Tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol

  • Molecular FormulaC24H18O3
  • Average mass354.398 Da
  • Monoisotopic mass354.125580 Da
  • ChemSpider ID35033535

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(11S,12S,13S)-11,12,13,14-Tetrahydronaphtho[1,2,3,4-pqr]tetraphen-11,12,13-triol [German] [ACD/IUPAC Name]
(11S,12S,13S)-11,12,13,14-Tetrahydronaphtho[1,2,3,4-pqr]tetraphene-11,12,13-triol [ACD/IUPAC Name]
(11S,12S,13S)-11,12,13,14-Tétrahydronaphto[1,2,3,4-pqr]tétraphène-11,12,13-triol [French] [ACD/IUPAC Name]
Dibenzo[def,p]chrysene-11,12,13-triol, 11,12,13,14-tetrahydro-, (11S,12S,13S)- [ACD/Index Name]
14L

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

Density: 1.5±0.1 g/cm3
Boiling Point: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 298.0±26.1 °C
Index of Refraction: 1.937
Molar Refractivity: 111.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1980.58
ACD/KOC (pH 5.5): 7969.67
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1980.57
ACD/KOC (pH 7.4): 7969.66
Polar Surface Area: 61 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 80.2±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

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