ChemSpider 2D Image | (3aS,4R,5R,6aR)-5-Hydroxy-4-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one | C18H22O4

(3aS,4R,5R,6aR)-5-Hydroxy-4-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one

  • Molecular FormulaC18H22O4
  • Average mass302.365 Da
  • Monoisotopic mass302.151794 Da
  • ChemSpider ID78430004

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,4R,5R,6aR)-5-Hydroxy-4-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3aS,4R,5R,6aR)-5-Hydroxy-4-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3aS,4R,5R,6aR)-5-Hydroxy-4-[(3S)-3-hydroxy-5-phényl-1-pentén-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aS,4R,5R,6aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 185.6±23.6 °C
Index of Refraction: 1.640
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.88
ACD/KOC (pH 5.5): 152.55
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.88
ACD/KOC (pH 7.4): 152.55
Polar Surface Area: 67 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 235.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement