ChemSpider 2D Image | 4-Aminophenyl b-D-cellobioside | C18H27NO11

4-Aminophenyl b-D-cellobioside

  • Molecular FormulaC18H27NO11
  • Average mass433.407 Da
  • Monoisotopic mass433.158417 Da
  • ChemSpider ID29361827

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

42935-24-0 [RN]
4-Aminophenyl 4-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-Aminophenyl b-D-cellobioside
4-Aminophenyl-4-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-β-D-Glucopyranosyl-β-D-glucopyranoside de 4-aminophényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-aminophenyl 4-O-β-D-glucopyranosyl- [ACD/Index Name]
[42935-24-0] [RN]
4-Aminophenyl β-D-cellobioside
4-Aminophenyl4-O-b-D-glucopyranosyl-b-D-glucopyranoside
MFCD07367628 [MDL number]
More...

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 774.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.3±3.0 kJ/mol
    Flash Point: 422.3±32.9 °C
    Index of Refraction: 1.675
    Molar Refractivity: 99.3±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 9
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: -3.16
    ACD/LogD (pH 5.5): -2.80
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 205 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 99.0±5.0 dyne/cm
    Molar Volume: 264.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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