ChemSpider 2D Image | (3S)-3,6,7-Trihydroxy-3-methyl-3H-benzo[a]fluorene-4,11-dione | C18H12O5

(3S)-3,6,7-Trihydroxy-3-methyl-3H-benzo[a]fluorene-4,11-dione

  • Molecular FormulaC18H12O5
  • Average mass308.285 Da
  • Monoisotopic mass308.068481 Da
  • ChemSpider ID28641173

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,6,7-Trihydroxy-3-methyl-3H-benzo[a]fluoren-4,11-dion [German] [ACD/IUPAC Name]
(3S)-3,6,7-Trihydroxy-3-methyl-3H-benzo[a]fluorene-4,11-dione [ACD/IUPAC Name]
(3S)-3,6,7-Trihydroxy-3-méthyl-3H-benzo[a]fluorène-4,11-dione [French] [ACD/IUPAC Name]
3H-Benzo[a]fluorene-4,11-dione, 3,6,7-trihydroxy-3-methyl-, (3S)- [ACD/Index Name]
fluostatin K

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

Density: 1.6±0.1 g/cm3
Boiling Point: 665.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 370.0±28.0 °C
Index of Refraction: 1.769
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.87
ACD/KOC (pH 5.5): 227.34
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 84.47
Polar Surface Area: 95 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 88.0±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement