ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl (5xi)-2-acetamido-4-O-[(5xi)-2-acetamido-2-deoxy-beta-D-ribo-hexopyranosyl]-2-deoxy-beta-D-ribo-hexopyranoside | C26H34N2O13

4-Methyl-2-oxo-2H-chromen-7-yl (5ξ)-2-acetamido-4-O-[(5ξ)-2-acetamido-2-deoxy-β-D-ribo-hexopyranosyl]-2-deoxy-β-D-ribo-hexopyranoside

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID32696500

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(5ξ)-2-Acétamido-4-O-[(5ξ)-2-acétamido-2-désoxy-β-D-ribo-hexopyranosyl]-2-désoxy-β-D-ribo-hexopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[(5ξ)-2-(acetylamino)-4-O-[(5ξ)-2-(acetylamino)-2-deoxy-β-D-ribo-hexopyranosyl]-2-deoxy-β-D-ribo-hexopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl (5ξ)-2-acetamido-4-O-[(5ξ)-2-acetamido-2-deoxy-β-D-ribo-hexopyranosyl]-2-deoxy-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-(5ξ)-2-acetamido-4-O-[(5ξ)-2-acetamido-2-desoxy-β-D-ribo-hexopyranosyl]-2-desoxy-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
4-Methylumbelliferyl-N,N-diacetyl-β-D-chitobioside
53643-12-2 [RN]
MFCD00082499 [MDL number]
N,N?-Diacetyl-4-methylumbelliferyl-β-D-chitobioside

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 1000.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 152.9±3.0 kJ/mol
    Flash Point: 559.0±34.3 °C
    Index of Refraction: 1.639
    Molar Refractivity: 136.7±0.4 cm3
    #H bond acceptors: 15
    #H bond donors: 7
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: -0.17
    ACD/LogD (pH 5.5): -0.86
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.14
    ACD/LogD (pH 7.4): -0.86
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 8.14
    Polar Surface Area: 223 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 79.6±5.0 dyne/cm
    Molar Volume: 380.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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