ChemSpider 2D Image | 3,4,6-Tri-O-acetyl-2-deoxy-2-(pentadecanoylamino)-1-O-(phenylacetyl)-D-glucopyranose | C35H53NO10

3,4,6-Tri-O-acetyl-2-deoxy-2-(pentadecanoylamino)-1-O-(phenylacetyl)-D-glucopyranose

  • Molecular FormulaC35H53NO10
  • Average mass647.796 Da
  • Monoisotopic mass647.366943 Da
  • ChemSpider ID17462439

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3,4,6-Tri-O-acetyl-2-deoxy-2-(pentadecanoylamino)-1-O-(phenylacetyl)-D-glucopyranose [ACD/IUPAC Name]
3,4,6-Tri-O-acétyl-2-désoxy-2-(pentadecanoylamino)-1-O-(2-phénylacétyl)-D-glucopyranose [French] [ACD/IUPAC Name]
3,4,6-Tri-O-acetyl-2-desoxy-2-(pentadecanoylamino)-1-O-(phenylacetyl)-D-glucopyranose [German] [ACD/IUPAC Name]
D-Glucopyranose, 2-deoxy-2-[(1-oxopentadecyl)amino]-, 3,4,6-triacetate 1-(2-phenylacetate) [ACD/Index Name]
(2R,3S,4R,5R)-2-(acetoxymethyl)-5-pentadecanamido-6-(2-phenylacetoxy)tetrahydro-2H-pyran-3,4-diyl diacetate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 728.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 106.4±3.0 kJ/mol
    Flash Point: 394.6±32.9 °C
    Index of Refraction: 1.518
    Molar Refractivity: 171.8±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 1
    #Freely Rotating Bonds: 25
    #Rule of 5 Violations: 3
    ACD/LogP: 9.20
    ACD/LogD (pH 5.5): 8.67
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1237791.63
    ACD/LogD (pH 7.4): 8.67
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1237789.00
    Polar Surface Area: 144 Å2
    Polarizability: 68.1±0.5 10-24cm3
    Surface Tension: 46.7±5.0 dyne/cm
    Molar Volume: 566.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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