ChemSpider 2D Image | (3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one | C15H24O4

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

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID24534114

  • 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-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxy-1-octén-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-5-Hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]hexahydro-2H-cyclopenta[b]furan-2-one
(3AR,4R,5R,6AS)-hexahydro-5-hydroxy-4-[(1e,3S)-3-hydroxy-1-octen-1-yl]-2H-cyclopenta[b]furan-2-one
26054-67-1 [RN]
2H-Cyclopenta[b]furan-2-one, hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octen-1-yl]-, (3aR,4R,5R,6aS)- [ACD/Index Name]
(3AR,4R,5R,6AS)-5-hydroxy-4-((s,e)-3-hydroxyoct-1-en-1-yl
(3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-2-one
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 430.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 79.1±6.0 kJ/mol
    Flash Point: 156.4±22.2 °C
    Index of Refraction: 1.576
    Molar Refractivity: 74.1±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.64
    ACD/LogD (pH 5.5): 1.85
    ACD/BCF (pH 5.5): 15.01
    ACD/KOC (pH 5.5): 241.92
    ACD/LogD (pH 7.4): 1.85
    ACD/BCF (pH 7.4): 15.01
    ACD/KOC (pH 7.4): 241.92
    Polar Surface Area: 67 Å2
    Polarizability: 29.4±0.5 10-24cm3
    Surface Tension: 54.8±3.0 dyne/cm
    Molar Volume: 223.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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