ChemSpider 2D Image | Mogroside IIE | C42H72O14

Mogroside IIE

  • Molecular FormulaC42H72O14
  • Average mass801.013 Da
  • Monoisotopic mass800.492188 Da
  • ChemSpider ID23283170

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

(1S,4R,9β,11α,24R)-1-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,9β,11α,24R)-1-(β-D-Glucopyranosyloxy)-11,25-dihydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholest-5-en-24-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
88901-38-6 [RN]
Mogroside IIE
Mogroside II-E
β-D-Glucopyranoside de (1S,4R,9β,11α,24R)-1-(β-D-glucopyranosyloxy)-11,25-dihydroxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholest-5-én-24-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,9β,10α,11α,17β)-17-[(1R,4R)-4-(β-D-glucopyranosyloxy)-5-hydroxy-1,5-dimethylhexyl]-11-hydroxy-4,4,9,14-tetramethylestr-5-en-3-yl [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9R,10R,11R,13R,14S,17R)-11-hydroxy-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
7-oxomogrol 3,24-di-O-β-D-glucopyranoside
Mogroside II E
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 907.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 149.8±6.0 kJ/mol
    Flash Point: 502.8±34.3 °C
    Index of Refraction: 1.602
    Molar Refractivity: 205.9±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 10
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 12.57
    ACD/KOC (pH 5.5): 212.92
    ACD/LogD (pH 7.4): 1.75
    ACD/BCF (pH 7.4): 12.57
    ACD/KOC (pH 7.4): 212.92
    Polar Surface Area: 239 Å2
    Polarizability: 81.6±0.5 10-24cm3
    Surface Tension: 67.0±5.0 dyne/cm
    Molar Volume: 600.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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