ChemSpider 2D Image | 4-O-alpha-D-Galactopyranosyl-beta-D-glucopyranose | C12H22O11

4-O-α-D-Galactopyranosyl-β-D-glucopyranose

  • Molecular FormulaC12H22O11
  • Average mass342.297 Da
  • Monoisotopic mass342.116211 Da
  • ChemSpider ID23327704

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4-O-α-D-Galactopyranosyl-β-D-glucopyranose [ACD/IUPAC Name]
4-O-α-D-Galactopyranosyl-β-D-glucopyranose [German] [ACD/IUPAC Name]
4-O-α-D-Galactopyranosyl-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 4-O-α-D-galactopyranosyl- [ACD/Index Name]
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2,3,4-triol
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL470274/
missing
WURCS=2.0/2,2,1/[a2122h-1b1-5][a2112h-1a1-5]/1-2/a4-b1
α-D-galacto-hexopyranosyl-(1->4)-β-D-gluco-hexopyranose
  • Miscellaneous

    • Chemical Class:

      An alpha-D-Galp-(1->4)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. ChEBI CHEBI:148271

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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