ChemSpider 2D Image | 4,4-Difluoro-1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-4-yl]-3-octanone | C20H32F2O5

4,4-Difluoro-1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-4-yl]-3-octanone

  • Molecular FormulaC20H32F2O5
  • Average mass390.462 Da
  • Monoisotopic mass390.221771 Da
  • ChemSpider ID74111088
  • defined stereocentres - 4 of 6 defined stereocentres


More details:






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

3-Octanone, 4,4-difluoro-1-[(3aR,4R,5R,6aS)-hexahydro-2-hydroxy-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-cyclopenta[b]furan-4-yl]- [ACD/Index Name]
4,4-Difluor-1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-4-yl]-3-octanon [German] [ACD/IUPAC Name]
4,4-Difluoro-1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-4-yl]-3-octanone [ACD/IUPAC Name]
4,4-Difluoro-1-[(3aR,4R,5R,6aS)-2-hydroxy-5-(tétrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-4-yl]-3-octanone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 497.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 254.4±28.7 °C
Index of Refraction: 1.495
Molar Refractivity: 95.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.80
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.58
ACD/KOC (pH 5.5): 213.19
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.58
ACD/KOC (pH 7.4): 213.19
Polar Surface Area: 65 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 327.8±5.0 cm3

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