ChemSpider 2D Image | 4-S-beta-D-Glucopyranosyl-4-thio-D-glucopyranose | C12H22O10S

4-S-β-D-Glucopyranosyl-4-thio-D-glucopyranose

  • Molecular FormulaC12H22O10S
  • Average mass358.362 Da
  • Monoisotopic mass358.093353 Da
  • ChemSpider ID32696980

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

4-S-β-D-Glucopyranosyl-4-thio-D-glucopyranose [ACD/IUPAC Name]
4-S-β-D-Glucopyranosyl-4-thio-D-glucopyranose [German] [ACD/IUPAC Name]
4-S-β-D-Glucopyranosyl-4-thio-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 4-S-β-D-glucopyranosyl-4-thio- [ACD/Index Name]
4-S-?-D-glucopyranosyl-4-thio-D-glucose
80951-92-4 [RN]
MFCD00270082 [MDL number]
Thiocellobiose

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 705.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.1 mmHg at 25°C
    Enthalpy of Vaporization: 117.9±6.0 kJ/mol
    Flash Point: 380.3±32.9 °C
    Index of Refraction: 1.691
    Molar Refractivity: 77.1±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 8
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -2.61
    ACD/LogD (pH 5.5): -2.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 206 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 115.6±5.0 dyne/cm
    Molar Volume: 201.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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