ChemSpider 2D Image | Gardenoside | C17H24O11

Gardenoside

  • Molecular FormulaC17H24O11
  • Average mass404.366 Da
  • Monoisotopic mass404.131866 Da
  • ChemSpider ID21537454

More details:

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

1-(Hexopyranosyloxy)-7-hydroxy-7-(hydroxyméthyl)-1,4a,7,7a-tétrahydrocyclopenta[c]pyrane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
24512-62-7 [RN]
Cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, methyl ester [ACD/Index Name]
Gardenoside
Methyl 1-(hexopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(hexopyranosyloxy)-7-hydroxy-7-(hydroxymethyl)-1,4a,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylat [German] [ACD/IUPAC Name]
[24512-62-7] [RN]
1279030-10-2 [RN]
methyl (1R,4aR,7S,7aR)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
MFCD00017727 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 672.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.1±6.0 kJ/mol
    Flash Point: 242.1±25.0 °C
    Index of Refraction: 1.643
    Molar Refractivity: 90.3±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 6
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: -4.66
    ACD/LogD (pH 5.5): -3.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 175 Å2
    Polarizability: 35.8±0.5 10-24cm3
    Surface Tension: 87.0±5.0 dyne/cm
    Molar Volume: 249.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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