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

(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,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 ID24534113

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-5-phényl-1-pentén-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one
2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-5-phenyl-1-penten-1-yl]-, (3aR,4R,5R,6aS)- [ACD/Index Name]
(+)-(3AR,4R,5R,6AS)-hexahydro-5-hyd
(+)-(3aR,4R,5r,6aS)-Hexahydro-5-hydroxy-4-[(1E,3R)-3-hydroxy-5-phenyl-1-pentenyl]-2H-cyclopenta[b]furan-2-one
(+)-(3-α-R,4R,5R,6-α-S)-HEXAHYDRO-5-HYDROXY-4-[(1E,3R)-3-HYDROXY-5-PHENYL-1-PENTENYL]-2H-CYCLOPENTA[B]FURAN-2-ONE
(3AR,4R,5R,6AS)-5-hydroxy- 4-(e,3S)-3-hydroxy-5-phenyl-pent-1-enyl-3,3a,4,5,6,6a-hexahydrocyclopentabfuran-2-one
(3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxy-5-phenylpent-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
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    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


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