ChemSpider 2D Image | 4-Methyl-2-oxo-2H-chromen-7-yl alpha-L-idopyranuronate | C16H16O9

4-Methyl-2-oxo-2H-chromen-7-yl α-L-idopyranuronate

  • Molecular FormulaC16H16O9
  • Average mass352.293 Da
  • Monoisotopic mass352.079437 Da
  • ChemSpider ID26499917
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

4-Methyl-2-oxo-2H-chromen-7-yl α-L-idopyranuronate [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-α-L-idopyranuronat [German] [ACD/IUPAC Name]
α-L-Idopyranuronate de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
α-L-Idopyranuronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester [ACD/Index Name]
[66966-09-4] [RN]
266-527-5 [EINECS]
4-Methyl-2-oxo-2H-chromen-7-ylalpha-L-idopyranosiduronicacid
4-Methylumbelliferyl a-L-idopyranosiduronic acid
4-Methylumbelliferyl α-L-iduronide
4-Methylumbelliferyl α-L-iduronide (free acid)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.6±0.1 g/cm3
    Boiling Point: 617.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.2±3.0 kJ/mol
    Flash Point: 229.8±25.0 °C
    Index of Refraction: 1.670
    Molar Refractivity: 80.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.79
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 22.58
    ACD/LogD (pH 7.4): -0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 22.58
    Polar Surface Area: 143 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 87.3±3.0 dyne/cm
    Molar Volume: 214.2±3.0 cm3

    Click to predict properties on the Chemicalize site






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