ChemSpider 2D Image | alpha-D-Glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranose | C18H32O16

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

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID88294309

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

α-D-Glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->6)]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-α-D-glucopyranosyl-(1->4)-O-[β-D-glucopyranosyl-(1->6)]- [ACD/Index Name]
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
missing
WURCS=2.0/2,3,2/[a2122h-1b1-5][a2122h-1a1-5]/1-2-1/a4-b1_a6-c1
α-D-gluco-hexopyranosyl-(1->4)-[β-D-gluco-hexopyranosyl-(1->6)]-β-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      A glucotriose that is beta-D-glucopyranose in which the hydroxy groups at positions 4 and 6 have been converted into the corresponding alpha-D-glucopyranosyl and beta-D-glucopyranosyl derivatives, res pectively. ChEBI CHEBI:146926

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

Density: 1.8±0.1 g/cm3
Boiling Point: 860.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.2±6.0 kJ/mol
Flash Point: 474.4±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 104.5±0.4 cm3
#H bond acceptors: 16
#H bond donors: 11
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -5.88
ACD/LogD (pH 5.5): -5.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 119.2±5.0 dyne/cm
Molar Volume: 278.7±5.0 cm3

Click to predict properties on the Chemicalize site


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