ChemSpider 2D Image | (3aR,4R,5R,6aS)-4-[(1E,3S,5S)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one | C27H44O6

(3aR,4R,5R,6aS)-4-[(1E,3S,5S)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one

  • Molecular FormulaC27H44O6
  • Average mass464.635 Da
  • Monoisotopic mass464.313782 Da
  • ChemSpider ID28536385

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(3aR,4R,5R,6aS)-4-((3S,5S,E)-5-Methyl-3-((tetrahydro-2H-pyran-2-yl)oxy)non-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
(3aR,4R,5R,6aS)-4-[(1E,3S,5S)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-on [German] [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-4-[(1E,3S,5S)-5-Methyl-3-(tetrahydro-2H-pyran-2-yloxy)-1-nonen-1-yl]-5-(tetrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one [ACD/IUPAC Name]
(3aR,4R,5R,6aS)-4-[(1E,3S,5S)-5-Méthyl-3-(tétrahydro-2H-pyran-2-yloxy)-1-nonén-1-yl]-5-(tétrahydro-2H-pyran-2-yloxy)hexahydro-2H-cyclopenta[b]furan-2-one [French] [ACD/IUPAC Name]
101849-78-9 [RN]
2H-Cyclopenta[b]furan-2-one, hexahydro-4-[(1E,3S,5S)-5-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-nonen-1-yl]-5-[(tetrahydro-2H-pyran-2-yl)oxy]-, (3aR,4R,5R,6aS)- [ACD/Index Name]
(3AR,4R,5R,6AS)-4-((3S,5S,E)-5-methyl-3-((tetrahydro-2H-pyran-2-yl)oxy)non-1-en-1-yl)-5-((tetrahydro-2H-pyran-2-yl)oxy)hexahydro-2H- cyclopenta[b]furan-2-one
(3aR,4R,5R,6aS)-4-[(E,3S,5S)-5-methyl-3-(oxan-2-yloxy)non-1-enyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
(3AR,4R,5R,6AS)-hexahydro-4-[(1e,3S,5S)-5-methyl-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-nonen-1-yl]-5-[(tetrahydro-2H-pyran-2-yl)oxy]-2 H-cyclopenta[b]furan-2-one
[101849-78-9] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 596.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.9±3.0 kJ/mol
    Flash Point: 252.4±30.2 °C
    Index of Refraction: 1.518
    Molar Refractivity: 127.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 3.41
    ACD/LogD (pH 5.5): 3.90
    ACD/BCF (pH 5.5): 542.96
    ACD/KOC (pH 5.5): 3156.09
    ACD/LogD (pH 7.4): 3.90
    ACD/BCF (pH 7.4): 542.96
    ACD/KOC (pH 7.4): 3156.09
    Polar Surface Area: 63 Å2
    Polarizability: 50.5±0.5 10-24cm3
    Surface Tension: 42.1±5.0 dyne/cm
    Molar Volume: 420.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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