ChemSpider 2D Image | 2-[(4-Acetoxybenzoyl)amino]-3,4,6-tri-O-acetyl-2-deoxy-1-O-(phenylacetyl)-alpha-D-glucopyranose | C29H31NO12

2-[(4-Acetoxybenzoyl)amino]-3,4,6-tri-O-acetyl-2-deoxy-1-O-(phenylacetyl)-α-D-glucopyranose

  • Molecular FormulaC29H31NO12
  • Average mass585.556 Da
  • Monoisotopic mass585.184631 Da
  • ChemSpider ID17463047

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-[(4-Acetoxybenzoyl)amino]-3,4,6-tri-O-acetyl-2-deoxy-1-O-(phenylacetyl)-α-D-glucopyranose [ACD/IUPAC Name]
2-[(4-Acétoxybenzoyl)amino]-3,4,6-tri-O-acétyl-2-désoxy-1-O-(2-phénylacétyl)-α-D-glucopyranose [French] [ACD/IUPAC Name]
2-[(4-Acetoxybenzoyl)amino]-3,4,6-tri-O-acetyl-2-desoxy-1-O-(phenylacetyl)-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-[[4-(acetyloxy)benzoyl]amino]-2-deoxy-, 3,4,6-triacetate 1-(2-phenylacetate) [ACD/Index Name]
[(2R,3R,4R,5S,6R)-4,5-diacetyloxy-3-[(4-acetyloxybenzoyl)amino]-6-(acetyloxymethyl)oxan-2-yl] 2-phenylacetate
956977-08-5 [RN]
MCULE-5594714235
MolPort-000-777-912
STOCK1N-30106

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 709.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.8±3.0 kJ/mol
    Flash Point: 382.9±32.9 °C
    Index of Refraction: 1.571
    Molar Refractivity: 142.8±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 1
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 155.35
    ACD/KOC (pH 5.5): 1288.72
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 155.34
    ACD/KOC (pH 7.4): 1288.55
    Polar Surface Area: 170 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 57.8±5.0 dyne/cm
    Molar Volume: 434.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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