ChemSpider 2D Image | Globotriose | C18H32O16

Globotriose

  • Molecular FormulaC18H32O16
  • Average mass504.437 Da
  • Monoisotopic mass504.169037 Da
  • ChemSpider ID4443270

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

Globotriose
α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [German] [ACD/IUPAC Name]
α-D-Galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-galactosyl-(1->4)-β-D-galactosyl-(1->4)-β-D-glucose
α-D-Galp-(1->4)-β-D-Galp-(1->4)-D-Glcp
β-D-Glucopyranose, O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
(2R,3R,4S,5R,6R)-2-{[(2R,3R,4R,5R,6S)-4,5-DIHYDROXY-2-(HYDROXYMETHYL)-6-{[(2R,3S,4R,5R,6R)-4,5,6-TRIHYDROXY-2-(HYDROXYMETHYL)OXAN-3-YL]OXY}OXAN-3-YL]OXY}-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
66580-68-5 [RN]
GAL-(1-4)GAL-(1-4)GLC
More...

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

AIDS334771 [DBID]
AIDS-334771 [DBID]
  • Miscellaneous

    • Chemical Class:

      <stereo>alpha</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-Gal<ringsugar>p</ringsugar>-(1<arrow>right</arrow>4)-<stereo>D</ stereo>-Glc<ringsugar>p</ringsugar> with <stereo>beta</stereo>-configuration at the reducing end anomeric centre. ChEBI CHEBI:68485
      alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-D-Glcp with beta-configuration at the reducing end anomeric centre. ChEBI CHEBI:68485
      alpha-D-Galp-(1right4)-beta-D-Galp-(1right4)-D-Glcp with beta-configuration at the reducing end anomeric centre. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68485

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

Density: 1.8±0.1 g/cm3
Boiling Point: 865.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 142.9±6.0 kJ/mol
Flash Point: 477.0±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: -3.25
ACD/LogD (pH 5.5): -4.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.07
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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