ChemSpider 2D Image | 1,6-Anhydro-b-D-cellobiose | C12H20O10

1,6-Anhydro-b-D-cellobiose

  • Molecular FormulaC12H20O10
  • Average mass324.281 Da
  • Monoisotopic mass324.105652 Da
  • ChemSpider ID32696877

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-2-{[(1R,2S,3R,4R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(1R,2S,3R,4R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-2-{[(1R,2S,3R,4R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]oct-2-yl]oxy}-6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol [French] [ACD/IUPAC Name]
1,6-Anhydro-b-D-cellobiose
35405-71-1 [RN]
(2S,3R,4S,5S,6R)-2-[[(1R,2S,3R,4R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,4S,5S)-2-[[(2S,3R,5R)-3,4-Dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy] -6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
1,6-Anhydro-β-d-cellobiose
1,6-Anhydro-β-D-cellobiose
4-O-(b-D-Glucopyranosyl)-1,6-anhydro-D-glucopyranose
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.7±0.1 g/cm3
    Boiling Point: 640.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.3 mmHg at 25°C
    Enthalpy of Vaporization: 108.3±6.0 kJ/mol
    Flash Point: 341.1±31.5 °C
    Index of Refraction: 1.644
    Molar Refractivity: 67.4±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: -2.97
    ACD/LogD (pH 5.5): -2.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.89
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 158 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 97.6±5.0 dyne/cm
    Molar Volume: 186.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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