Found 1 result

Search term: 94452-17-2 (Found by approved synonym)
ChemSpider 2D Image | N-[7-(beta-D-Galactopyranosyloxy)-4-methyl-2-oxo-2H-chromen-6-yl]hexadecanamide | C32H49NO9

N-[7-(β-D-Galactopyranosyloxy)-4-methyl-2-oxo-2H-chromen-6-yl]hexadecanamide

  • Molecular FormulaC32H49NO9
  • Average mass591.733 Da
  • Monoisotopic mass591.340759 Da
  • ChemSpider ID19980910

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

94452-17-2 [RN]
Hexadecanamide, N-(7-(β-D-galactopyranosyloxy)-4-methyl-2-oxo-2H-1-benzopyran-6-yl)-
Hexadecanamide, N-[7-(β-D-galactopyranosyloxy)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]- [ACD/Index Name]
N-[7-(β-D-Galactopyranosyloxy)-4-methyl-2-oxo-2H-chromen-6-yl]hexadecanamid [German] [ACD/IUPAC Name]
N-[7-(β-D-Galactopyranosyloxy)-4-methyl-2-oxo-2H-chromen-6-yl]hexadecanamide [ACD/IUPAC Name]
N-[7-(β-D-Galactopyranosyloxy)-4-méthyl-2-oxo-2H-chromén-6-yl]hexadécanamide [French] [ACD/IUPAC Name]
[94452-17-2] [RN]
6-HEXADECANOYLAMIDO-4-METHYLUMBELLIFERYL B-D-GALACTOPYRANOSIDE
6-Hexadecanoylamido-4-methylumbelliferyl β-D-galactopyranoside
6-Hexadecanoylamido-4-methylumbelliferyl-β-D-galactopyranoside
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 782.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 119.4±3.0 kJ/mol
    Flash Point: 427.1±32.9 °C
    Index of Refraction: 1.569
    Molar Refractivity: 159.3±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 5
    #Freely Rotating Bonds: 18
    #Rule of 5 Violations: 4
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 6.20
    ACD/BCF (pH 5.5): 30152.04
    ACD/KOC (pH 5.5): 55960.17
    ACD/LogD (pH 7.4): 6.20
    ACD/BCF (pH 7.4): 30151.78
    ACD/KOC (pH 7.4): 55959.68
    Polar Surface Area: 155 Å2
    Polarizability: 63.2±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 486.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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