ChemSpider 2D Image | 4-METHYLUMBELLIFERYL A-L-IDOPYRANOSIDE | C16H18O8

4-METHYLUMBELLIFERYL A-L-IDOPYRANOSIDE

  • Molecular FormulaC16H18O8
  • Average mass338.309 Da
  • Monoisotopic mass338.100159 Da
  • ChemSpider ID30783153

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2H-1-Benzopyran-2-one, 7-(α-L-idopyranosyloxy)-4-methyl- [ACD/Index Name]
4-Methyl-2-oxo-2H-chromen-7-yl α-L-idopyranoside [ACD/IUPAC Name]
4-Methyl-2-oxo-2H-chromen-7-yl-α-L-idopyranosid [German] [ACD/IUPAC Name]
4-Methyl-7-(((2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one
4-METHYLUMBELLIFERYL A-L-IDOPYRANOSIDE
66901-41-5 [RN]
α-L-Idopyranoside de 4-méthyl-2-oxo-2H-chromén-7-yle [French] [ACD/IUPAC Name]
[66901-41-5] [RN]
4-Methyl-2-oxo-2H-chromen-7-ylhexopyranoside
4-methylcoumarin-7-yl ??-L-idopyranoside
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 626.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 97.5±3.0 kJ/mol
    Flash Point: 233.9±25.0 °C
    Index of Refraction: 1.641
    Molar Refractivity: 80.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.46
    ACD/LogD (pH 5.5): -0.45
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.52
    ACD/LogD (pH 7.4): -0.45
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.52
    Polar Surface Area: 126 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 73.1±3.0 dyne/cm
    Molar Volume: 222.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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