ChemSpider 2D Image | MFCD01873927 | C12H22O11

MFCD01873927

  • Molecular FormulaC12H22O11
  • Average mass342.297 Da
  • Monoisotopic mass342.116211 Da
  • ChemSpider ID21474888

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

4-O-Hexopyranosylhexopyranose [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-L-glucopyranose [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-L-glucopyranose [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-L-glucopyranose [French] [ACD/IUPAC Name]
L-Glucopyranose, 4-O-α-D-glucopyranosyl- [ACD/Index Name]
MFCD01873927
(3S,4S,5R,6S)-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol
(3S,4S,6S,5R)-5-[(4S,5S,2R,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5, 6-tetrahydropyran-2-yloxy)]-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-2,3,4 -triol
(3S,4S,6S,5R)-5-[(4S,5S,2R,3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-2-yloxy)]-6-(hydroxymethyl)-2H-3,4,5,6-tetrahydropyran-2,3,4-triol
VS-00671

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 667.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.4±6.0 kJ/mol
    Flash Point: 357.8±31.5 °C
    Index of Refraction: 1.652
    Molar Refractivity: 70.8±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 8
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -3.41
    ACD/LogD (pH 5.5): -4.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 190 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 110.9±5.0 dyne/cm
    Molar Volume: 193.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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