ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranoside | C32H32O14

3-(1,3-Benzodioxol-5-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside

  • Molecular FormulaC32H32O14
  • Average mass640.588 Da
  • Monoisotopic mass640.179199 Da
  • ChemSpider ID17460715

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-α-D-glucopyranoside de 3-(1,3-benzodioxol-5-yl)-6-éthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-6-ethyl-4-oxo-4H-chromen-7-yl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-6-ethyl-4-oxo-4H-chromen-7-yl-2,3,4,6-tetra-O-acetyl-α-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-[(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)oxy]- [ACD/Index Name]
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[3-(1,3-benzodioxol-5-yl)-6-ethyl-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 721.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 105.4±3.0 kJ/mol
    Flash Point: 299.1±32.9 °C
    Index of Refraction: 1.599
    Molar Refractivity: 153.7±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 5.32
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 734.08
    ACD/KOC (pH 5.5): 3916.51
    ACD/LogD (pH 7.4): 4.07
    ACD/BCF (pH 7.4): 734.08
    ACD/KOC (pH 7.4): 3916.51
    Polar Surface Area: 168 Å2
    Polarizability: 60.9±0.5 10-24cm3
    Surface Tension: 62.2±5.0 dyne/cm
    Molar Volume: 450.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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