ChemSpider 2D Image | alpha-D-Glucopyranosyl-(1->4)-[alpha-D-glucopyranosyl-(1->6)]-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose | C24H42O21

α-D-Glucopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->6)]-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose

  • Molecular FormulaC24H42O21
  • Average mass666.578 Da
  • Monoisotopic mass666.221863 Da
  • ChemSpider ID388322

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

149820-99-5 [RN]
α-D-Glucopyranose, O-α-D-glucopyranosyl-(1->4)-O-[α-D-glucopyranosyl-(1->6)]-O-α-D-glucopyranosyl-(1->4)- [ACD/Index Name]
α-D-Glucopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->6)]-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->6)]-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-[α-D-glucopyranosyl-(1->6)]-α-D-glucopyranosyl-(1->4)-α-D-glucopyranose [French] [ACD/IUPAC Name]
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)o
(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

bmse000232 [DBID]
C00182 [DBID]

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

    Density: 1.8±0.1 g/cm3
    Boiling Point: 1027.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 170.0±6.0 kJ/mol
    Flash Point: 575.0±34.3 °C
    Index of Refraction: 1.687
    Molar Refractivity: 138.2±0.4 cm3
    #H bond acceptors: 21
    #H bond donors: 14
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: -5.59
    ACD/LogD (pH 5.5): -6.11
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -6.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 348 Å2
    Polarizability: 54.8±0.5 10-24cm3
    Surface Tension: 125.1±5.0 dyne/cm
    Molar Volume: 362.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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