ChemSpider 2D Image | (1S,3S,6bR)-3-Ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-one | C22H20O5

(1S,3S,6bR)-3-Ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-one

  • Molecular FormulaC22H20O5
  • Average mass364.391 Da
  • Monoisotopic mass364.131073 Da
  • ChemSpider ID28430058

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,6bR)-3-Ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-on [German] [ACD/IUPAC Name]
(1S,3S,6bR)-3-Ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-one [ACD/IUPAC Name]
(1S,3S,6bR)-3-Éthoxy-1,4,9-trihydroxy-2,3,6b,7-tétrahydrobenzo[j]fluoranthén-8(1H)-one [French] [ACD/IUPAC Name]
Benzo[j]fluoranthen-8(1H)-one, 3-ethoxy-2,3,6b,7-tetrahydro-1,4,9-trihydroxy-, (1S,3S,6bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 216.2±25.0 °C
Index of Refraction: 1.727
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 766.76
ACD/KOC (pH 5.5): 4033.84
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 525.54
ACD/KOC (pH 7.4): 2764.80
Polar Surface Area: 87 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 79.5±5.0 dyne/cm
Molar Volume: 244.9±5.0 cm3

Click to predict properties on the Chemicalize site


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