Found 1 result

Search term: 28430059 (Found by CSID)
ChemSpider 2D Image | (1S,3S,6bR)-1,3,4,9-Tetrahydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-one | C20H16O5

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

  • Molecular FormulaC20H16O5
  • Average mass336.338 Da
  • Monoisotopic mass336.099762 Da
  • ChemSpider ID28430059

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,6bR)-1,3,4,9-Tetrahydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-on [German] [ACD/IUPAC Name]
(1S,3S,6bR)-1,3,4,9-Tetrahydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-one [ACD/IUPAC Name]
(1S,3S,6bR)-1,3,4,9-Tétrahydroxy-2,3,6b,7-tétrahydrobenzo[j]fluoranthén-8(1H)-one [French] [ACD/IUPAC Name]
Benzo[j]fluoranthen-8(1H)-one, 2,3,6b,7-tetrahydro-1,3,4,9-tetrahydroxy-, (1S,3S,6bR)- [ACD/Index Name]
Hypoxylonol C

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

Density: 1.6±0.1 g/cm3
Boiling Point: 691.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 386.0±28.0 °C
Index of Refraction: 1.811
Molar Refractivity: 88.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 112.05
ACD/KOC (pH 5.5): 1018.28
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 77.47
ACD/KOC (pH 7.4): 704.10
Polar Surface Area: 98 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 102.1±5.0 dyne/cm
Molar Volume: 203.8±5.0 cm3

Click to predict properties on the Chemicalize site


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