ChemSpider 2D Image | Methyl (2R,3S,4R)-2-(beta-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate | C24H30O14

Methyl (2R,3S,4R)-2-(β-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC24H30O14
  • Average mass542.487 Da
  • Monoisotopic mass542.163574 Da
  • ChemSpider ID116111

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,4R)-2-(β-D-Glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]éthyl}-3-vinyl-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-, methyl ester, (2R,3S,4R)- [ACD/Index Name]
Methyl (2R,3S,4R)-2-(β-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3S,4R)-2-(β-D-glucopyranosyloxy)-4-{2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl}-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
[131189-57-6] [RN]
131189-57-6 [RN]
2H-Pyran-5-carboxylic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-(2-((3,4,5-trihydroxybenzoyl)oxy)ethyl)-, methyl ester, (2S-(2α,3β,4β))-
Comuside
cor-nuside
Cornuside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 817.6±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.6±3.0 kJ/mol
    Flash Point: 274.5±27.8 °C
    Index of Refraction: 1.648
    Molar Refractivity: 125.0±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 7
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: -0.31
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.25
    ACD/LogD (pH 7.4): -0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 10.88
    Polar Surface Area: 222 Å2
    Polarizability: 49.5±0.5 10-24cm3
    Surface Tension: 87.0±5.0 dyne/cm
    Molar Volume: 343.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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