ChemSpider 2D Image | (1R,2R,3R)-1,2,6,7-Tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione | C18H14O6

(1R,2R,3R)-1,2,6,7-Tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione

  • Molecular FormulaC18H14O6
  • Average mass326.300 Da
  • Monoisotopic mass326.079041 Da
  • ChemSpider ID59701304

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,3R)-1,2,6,7-Tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[a]fluoren-4,11-dion [German] [ACD/IUPAC Name]
(1R,2R,3R)-1,2,6,7-Tetrahydroxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione [ACD/IUPAC Name]
(1R,2R,3R)-1,2,6,7-Tétrahydroxy-3-méthyl-2,3-dihydro-1H-benzo[a]fluorène-4,11-dione [French] [ACD/IUPAC Name]
1H-Benzo[a]fluorene-4,11-dione, 2,3-dihydro-1,2,6,7-tetrahydroxy-3-methyl-, (1R,2R,3R)- [ACD/Index Name]
Fluostatin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 652.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 362.1±28.0 °C
Index of Refraction: 1.768
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.93
ACD/KOC (pH 5.5): 165.73
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 2.92
ACD/KOC (pH 7.4): 54.17
Polar Surface Area: 115 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 94.5±3.0 dyne/cm
Molar Volume: 199.0±3.0 cm3

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