ChemSpider 2D Image | (6R,7R,8S,8aR)-6-Hydroxy-8-{2-[(2R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate | C23H34O6

(6R,7R,8S,8aR)-6-Hydroxy-8-{2-[(2R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID48059948

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(2S)-2-Méthylbutanoate de (6R,7R,8S,8aR)-6-hydroxy-8-{2-[(2R)-4-hydroxy-6-oxotétrahydro-2H-pyran-2-yl]éthyl}-7-méthyl-1,2,6,7,8,8a-hexahydro-1-naphtalényle [French] [ACD/IUPAC Name]
(6R,7R,8S,8aR)-6-Hydroxy-8-{2-[(2R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate [ACD/IUPAC Name]
(6R,7R,8S,8aR)-6-Hydroxy-8-{2-[(2R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,6,7,8,8a-hexahydro-1-naphthalinyl-(2S)-2-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (6R,7R,8S,8aR)-1,2,6,7,8,8a-hexahydro-6-hydroxy-7-methyl-8-[2-[(2R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)- [ACD/Index Name]
[(6R,7R,8S,8aR)-6-hydroxy-8-[2-[(2R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
1322624-38-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 596.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 102.0±6.0 kJ/mol
    Flash Point: 201.8±23.6 °C
    Index of Refraction: 1.548
    Molar Refractivity: 108.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.19
    ACD/KOC (pH 5.5): 532.45
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.19
    ACD/KOC (pH 7.4): 532.45
    Polar Surface Area: 93 Å2
    Polarizability: 43.1±0.5 10-24cm3
    Surface Tension: 48.8±5.0 dyne/cm
    Molar Volume: 341.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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