ChemSpider 2D Image | (3S)-3,8-Dihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphenetrione | C19H14O5

(3S)-3,8-Dihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphenetrione

  • Molecular FormulaC19H14O5
  • Average mass322.311 Da
  • Monoisotopic mass322.084137 Da
  • ChemSpider ID59701706

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,8-Dihydroxy-3-methyl-3,4-dihydro-1,7,12(2H)-tetraphenetrione [ACD/IUPAC Name]
(3S)-3,8-Dihydroxy-3-méthyl-3,4-dihydro-1,7,12(2H)-tétraphènetrione [French] [ACD/IUPAC Name]
(3S)-3,8-Dihydroxy-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-3,8-dihydroxy-3-methyl-, (3S)- [ACD/Index Name]
Tetrangomycin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 615.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 339.9±28.0 °C
Index of Refraction: 1.701
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 189.71
ACD/KOC (pH 5.5): 1454.41
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 27.78
ACD/KOC (pH 7.4): 213.01
Polar Surface Area: 92 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 216.2±3.0 cm3

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