ChemSpider 2D Image | 4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylene diacetate | C35H34O18

4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylene diacetate

  • Molecular FormulaC35H34O18
  • Average mass742.634 Da
  • Monoisotopic mass742.174500 Da
  • ChemSpider ID17461966

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

22030-05-3 [RN]
4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylen-diacetat [German] [ACD/IUPAC Name]
4-{5-Acetoxy-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-2-yl}-1,2-phenylene diacetate [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
5-(Acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
Diacétate de 4-{5-acétoxy-4-oxo-7-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-4H-chromén-2-yl}-1,2-phénylène [French] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-2-(5-acetoxy-2-(3,4-diacetoxyphenyl)-4-oxo-4H-chromen-7-yloxy)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
[(2R,3R,4S,5R,6S)-3,4,5-TRIACETYLOXY-6-[5-ACETYLOXY-2-(3,4-DIACETYLOXYPHENYL)-4-OXOCHROMEN-7-YL]OXYOXAN-2-YL]METHYL ACETATE
4-{5-(acetyloxy)-4-oxo-7-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4H-chromen-2-yl}benzene-1,2-diyl diacetate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL450297/

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 808.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 117.5±3.0 kJ/mol
    Flash Point: 327.8±34.3 °C
    Index of Refraction: 1.584
    Molar Refractivity: 171.8±0.4 cm3
    #H bond acceptors: 18
    #H bond donors: 0
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 2
    ACD/LogP: 2.03
    ACD/LogD (pH 5.5): 2.66
    ACD/BCF (pH 5.5): 61.51
    ACD/KOC (pH 5.5): 664.00
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 61.51
    ACD/KOC (pH 7.4): 664.00
    Polar Surface Area: 229 Å2
    Polarizability: 68.1±0.5 10-24cm3
    Surface Tension: 63.8±5.0 dyne/cm
    Molar Volume: 512.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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