ChemSpider 2D Image | TRICHODERMAKETONE A | C16H24O5

TRICHODERMAKETONE A

  • Molecular FormulaC16H24O5
  • Average mass296.359 Da
  • Monoisotopic mass296.162384 Da
  • ChemSpider ID24671603

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
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(2S,3R,3aR,5R,8bR)-2-Hexyl-3,5-dihydroxy-3,3a,5,6,7,8b-hexahydrofuro[3,2-b][1]benzofuran-8(2H)-on [German] [ACD/IUPAC Name]
(2S,3R,3aR,5R,8bR)-2-Hexyl-3,5-dihydroxy-3,3a,5,6,7,8b-hexahydrofuro[3,2-b][1]benzofuran-8(2H)-one [ACD/IUPAC Name]
(2S,3R,3aR,5R,8bR)-2-Hexyl-3,5-dihydroxy-3,3a,5,6,7,8b-hexahydrofuro[3,2-b][1]benzofuran-8(2H)-one [French] [ACD/IUPAC Name]
Furo[3,2-b]benzofuran-8(2H)-one, 2-hexyl-3,3a,5,6,7,8b-hexahydro-3,5-dihydroxy-, (2S,3R,3aR,5R,8bR)- [ACD/Index Name]
TRICHODERMAKETONE A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 186.1±23.6 °C
Index of Refraction: 1.557
Molar Refractivity: 76.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.99
ACD/KOC (pH 5.5): 470.25
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.99
ACD/KOC (pH 7.4): 470.25
Polar Surface Area: 76 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 236.3±5.0 cm3

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