ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-beta-D-glucopyranoside | C33H35NO13

3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside

  • Molecular FormulaC33H35NO13
  • Average mass653.630 Da
  • Monoisotopic mass653.210815 Da
  • ChemSpider ID13009698

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Acétamido-3,4,6-tri-O-acétyl-2-désoxy-β-D-glucopyranoside de 3-(3,4-dihydro-2H-1,5-benzodioxépin-7-yl)-2-méthyl-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-3,4,6-tri-O-acetyl-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl-2-acetamido-3,4,6-tri-O-acetyl-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
388582-66-9 [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: 808.4±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: 442.7±34.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 160.1±0.4 cm3
    #H bond acceptors: 14
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 206.24
    ACD/KOC (pH 5.5): 1578.47
    ACD/LogD (pH 7.4): 3.35
    ACD/BCF (pH 7.4): 206.24
    ACD/KOC (pH 7.4): 1578.47
    Polar Surface Area: 171 Å2
    Polarizability: 63.5±0.5 10-24cm3
    Surface Tension: 61.4±5.0 dyne/cm
    Molar Volume: 467.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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