ChemSpider 2D Image | 7-[(4aR,5R,7aR)-3-(1,1-Difluoropentyl)-2-hydroxy-6-oxooctahydrocyclopenta[b]pyran-5-yl]heptanoic acid | C20H32F2O5

7-[(4aR,5R,7aR)-3-(1,1-Difluoropentyl)-2-hydroxy-6-oxooctahydrocyclopenta[b]pyran-5-yl]heptanoic acid

  • Molecular FormulaC20H32F2O5
  • Average mass390.462 Da
  • Monoisotopic mass390.221771 Da
  • ChemSpider ID128938094

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

7-[(4aR,5R,7aR)-3-(1,1-Difluoropentyl)-2-hydroxy-6-oxooctahydrocyclopenta[b]pyran-5-yl]heptanoic acid [ACD/IUPAC Name]
7-[(4aR,5R,7aR)-3-(1,1-Difluorpentyl)-2-hydroxy-6-oxooctahydrocyclopenta[b]pyran-5-yl]heptansäure [German] [ACD/IUPAC Name]
Acide 7-[(4aR,5R,7aR)-3-(1,1-difluoropentyl)-2-hydroxy-6-oxooctahydrocyclopenta[b]pyran-5-yl]heptanoïque [French] [ACD/IUPAC Name]
Cyclopenta[b]pyran-5-heptanoic acid, 3-(1,1-difluoropentyl)octahydro-2-hydroxy-6-oxo-, (4aR,5R,7aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 544.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.6±6.0 kJ/mol
Flash Point: 283.1±30.1 °C
Index of Refraction: 1.484
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 8.42
ACD/KOC (pH 5.5): 94.64
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 84 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 333.6±3.0 cm3

Click to predict properties on the Chemicalize site


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