ChemSpider 2D Image | 3A,4B-GALACTOTRIOSE | C18H32O16

3A,4B-GALACTOTRIOSE

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID26333202

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

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

3A,4B-GALACTOTRIOSE
56038-36-9 [RN]
D-Galactopyranose, O-α-D-galactopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
α-D-Gal-(1->3)-β-D-Gal-(1->4)-D-Gal
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-galactopyranose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-galactopyranose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-D-galactopyranose [French] [ACD/IUPAC Name]
(Gal)3
?-D-Glycero-Hexopyranosyl-(1->3)-?-D-threo-hexopyranosyl-(1->4)-D-threo-hexopyranose
[56038-36-9] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10406081 [DBID]
  • Miscellaneous

    • Chemical Class:

      A galactotriose in which the three D-galactosyl residues are connected via sequential alpha-(1->3)- and beta-(1->4)-linkages. ChEBI CHEBI:60187
      A trisaccharide consisting of three <stereo>D</stereo>-galactosyl residues connected via sequential <stereo>alpha</stereo>-(1<arrow>right</arrow>3)- and <stereo>beta</stereo>-(1<arrow>right</arrow>4)- linkages. ChEBI CHEBI:60187
      A trisaccharide consisting of three D-galactosyl residues connected via sequential alpha-(1right3)- and beta-(1right4)-; linkages. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:60187

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

Density: 1.8±0.1 g/cm3
Boiling Point: 883.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.9±6.0 kJ/mol
Flash Point: 488.3±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: -3.03
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
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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