ChemSpider 2D Image | 3-(3,4-Dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside | C27H29NO10

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

  • Molecular FormulaC27H29NO10
  • Average mass527.520 Da
  • Monoisotopic mass527.179138 Da
  • ChemSpider ID13009700

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Acétamido-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-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-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl- [ACD/Index Name]
388582-68-1 [RN]
AKOS003631880
MCULE-1620343263
MolPort-000-727-063
N-[(2S,3R,4R,5S,6R)-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
STOCK1N-24913

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 824.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 125.6±3.0 kJ/mol
    Flash Point: 452.2±34.3 °C
    Index of Refraction: 1.661
    Molar Refractivity: 131.3±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 1.35
    ACD/BCF (pH 5.5): 6.26
    ACD/KOC (pH 5.5): 129.30
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 6.26
    ACD/KOC (pH 7.4): 129.30
    Polar Surface Area: 153 Å2
    Polarizability: 52.1±0.5 10-24cm3
    Surface Tension: 74.6±5.0 dyne/cm
    Molar Volume: 355.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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