ChemSpider 2D Image | 4-{4-Oxo-5-(2-oxopropyl)-7-[(2,3,5,6-tetra-O-acetyl-alpha-L-glucofuranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylene diacetate | C36H36O17

4-{4-Oxo-5-(2-oxopropyl)-7-[(2,3,5,6-tetra-O-acetyl-α-L-glucofuranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylene diacetate

  • Molecular FormulaC36H36O17
  • Average mass740.661 Da
  • Monoisotopic mass740.195251 Da
  • ChemSpider ID17460886

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-{4-Oxo-5-(2-oxopropyl)-7-[(2,3,5,6-tetra-O-acetyl-α-L-glucofuranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4-{4-Oxo-5-(2-oxopropyl)-7-[(2,3,5,6-tetra-O-acetyl-α-L-glucofuranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylene diacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-bis(acetyloxy)phenyl]-5-(2-oxopropyl)-7-[(2,3,5,6-tetra-O-acetyl-α-L-glucofuranosyl)oxy]- [ACD/Index Name]
Diacétate de 4-{4-oxo-5-(2-oxopropyl)-7-[(2,3,5,6-tétra-O-acétyl-α-L-glucofuranosyl)oxy]-4H-chromén-2-yl}-1,2-phénylène [French] [ACD/IUPAC Name]
[2-acetyloxy-2-[(2S,3R,4S,5S)-3,4-diacetyloxy-5-[2-(3,4-diacetyloxyphenyl)-4-oxo-5-(2-oxopropyl)chromen-7-yl]oxyoxolan-2-yl]ethyl] acetate
1032939-35-7 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 828.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 120.4±3.0 kJ/mol
    Flash Point: 334.8±34.3 °C
    Index of Refraction: 1.582
    Molar Refractivity: 174.7±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 0
    #Freely Rotating Bonds: 19
    #Rule of 5 Violations: 2
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 2.05
    ACD/BCF (pH 5.5): 21.21
    ACD/KOC (pH 5.5): 309.87
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.21
    ACD/KOC (pH 7.4): 309.87
    Polar Surface Area: 220 Å2
    Polarizability: 69.2±0.5 10-24cm3
    Surface Tension: 62.3±5.0 dyne/cm
    Molar Volume: 523.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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