ChemSpider 2D Image | (2R,3R)-2,3,8-Trihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphenetrione | C19H14O6

(2R,3R)-2,3,8-Trihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphenetrione

  • Molecular FormulaC19H14O6
  • Average mass338.311 Da
  • Monoisotopic mass338.079041 Da
  • ChemSpider ID28649720
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3R)-2,3,8-Trihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphenetrione [ACD/IUPAC Name]
(2R,3R)-2,3,8-Trihydroxy-3-méthyl-3,4-dihydro-1,7,12(2H)-tétraphènetrione [French] [ACD/IUPAC Name]
(2R,3R)-2,3,8-Trihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphentrion [German] [ACD/IUPAC Name]
Benz[a]anthracene-1,7,12(2H)-trione, 3,4-dihydro-2,3,8-trihydroxy-3-methyl-, (2R,3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 653.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 362.8±28.0 °C
Index of Refraction: 1.732
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 70.70
ACD/KOC (pH 5.5): 717.02
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 10.06
ACD/KOC (pH 7.4): 102.07
Polar Surface Area: 112 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 213.2±3.0 cm3

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