ChemSpider 2D Image | 3,4,6-Tri-O-acetyl-2-{[2-(benzyloxy)benzoyl]amino}-2-deoxy-1-O-(phenylacetyl)-alpha-D-glucopyranose | C34H35NO11

3,4,6-Tri-O-acetyl-2-{[2-(benzyloxy)benzoyl]amino}-2-deoxy-1-O-(phenylacetyl)-α-D-glucopyranose

  • Molecular FormulaC34H35NO11
  • Average mass633.642 Da
  • Monoisotopic mass633.221008 Da
  • ChemSpider ID21341727

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,4,6-Tri-O-acetyl-2-{[2-(benzyloxy)benzoyl]amino}-2-deoxy-1-O-(phenylacetyl)-α-D-glucopyranose [ACD/IUPAC Name]
3,4,6-Tri-O-acétyl-2-{[2-(benzyloxy)benzoyl]amino}-2-désoxy-1-O-(2-phénylacétyl)-α-D-glucopyranose [French] [ACD/IUPAC Name]
3,4,6-Tri-O-acetyl-2-{[2-(benzyloxy)benzoyl]amino}-2-desoxy-1-O-(phenylacetyl)-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-2-[[2-(phenylmethoxy)benzoyl]amino]-, 3,4,6-triacetate 1-(2-phenylacetate) [ACD/Index Name]
[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-6-(acetyloxymethyl)-3-[(2-phenylmethoxybenzoyl)amino]oxan-2-yl] 2-phenylacetate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 753.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±3.0 kJ/mol
    Flash Point: 409.6±32.9 °C
    Index of Refraction: 1.594
    Molar Refractivity: 162.8±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 1
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 3
    ACD/LogP: 5.68
    ACD/LogD (pH 5.5): 4.56
    ACD/BCF (pH 5.5): 1718.81
    ACD/KOC (pH 5.5): 7200.67
    ACD/LogD (pH 7.4): 4.56
    ACD/BCF (pH 7.4): 1718.71
    ACD/KOC (pH 7.4): 7200.28
    Polar Surface Area: 153 Å2
    Polarizability: 64.5±0.5 10-24cm3
    Surface Tension: 58.5±5.0 dyne/cm
    Molar Volume: 479.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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