ChemSpider 2D Image | 4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE | C26H34N2O13

4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE

  • Molecular FormulaC26H34N2O13
  • Average mass582.554 Da
  • Monoisotopic mass582.206116 Da
  • ChemSpider ID149747

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acétamido-4-O-(2-acétamido-2-désoxy-β-D-glucopyranosyl)-2-désoxy-β-D-glucopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl 2-acetamido-4-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-2-acetamido-4-O-(2-acetamido-2-desoxy-β-D-glucopyranosyl)-2-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE
53643-12-2 [RN]
[53643-12-2] [RN]
2H-1-Benzopyran-2-one, 7-((2-(acetylamino)-4-O-(2-(acetylamino)-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β-D-glucopyranosyl)oxy)-4-methyl-
4-METHYLUMBELLIFERYL CHITOBIOSE
4-Methylumbelliferyl Di-N-Acetyl-b-D-chitobiose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS226290 [DBID]
AIDS-226290 [DBID]

    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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