ChemSpider 2D Image | blinin | C22H32O6

blinin

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID28420762

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[(1S,2R,4aS,7S,8aR)-7-Hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalenyl]methyl acetate [ACD/IUPAC Name]
[(1S,2R,4aS,7S,8aR)-7-Hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-1,3,4,7,8,8a-hexahydro-4a(2H)-naphthalinyl]methyl-acetat [German] [ACD/IUPAC Name]
125675-09-4 [RN]
2(5H)-Furanone, 4-[2-[(1S,2R,4aS,7S,8aR)-4a-[(acetyloxy)methyl]-1,2,3,4,4a,7,8,8a-octahydro-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
Acétate de [(1S,2R,4aS,7S,8aR)-7-hydroxy-5-(hydroxyméthyl)-1,2-diméthyl-1-[2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]-1,3,4,7,8,8a-hexahydro-4a(2H)-naphtalényl]méthyle [French] [ACD/IUPAC Name]
blinin
((1S,2R,4aS,7S,8aR)-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-1,2,3,4,4a,7,8,8a-octahydronaphthalen-4a-yl)methyl acetate
((1S,2R,4aS,7S,8aR)-7-hydroxy-5-(hydroxymethyl)-1,2-dimethyl-1-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-1,3,4,7,8,8a-hexahydronaphthalen-4a(2H)-yl)methyl acetate
[125675-09-4] [RN]
2(5H)-Furanone [ACD/Index Name] [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 565.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.6±6.0 kJ/mol
    Flash Point: 192.5±18.1 °C
    Index of Refraction: 1.527
    Molar Refractivity: 103.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.42
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 83.18
    ACD/KOC (pH 5.5): 824.03
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 83.18
    ACD/KOC (pH 7.4): 824.03
    Polar Surface Area: 93 Å2
    Polarizability: 41.1±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 337.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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