ChemSpider 2D Image | globo-N-tetraose | C26H45NO21

globo-N-tetraose

  • Molecular FormulaC26H45NO21
  • Average mass707.630 Da
  • Monoisotopic mass707.248413 Da
  • ChemSpider ID26332952

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->3)-α-D-galactopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-D-glucopyranose [French] [ACD/IUPAC Name]
75660-79-6 [RN]
D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->3)-O-α-D-galactopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)- [ACD/Index Name]
globo-N-tetraose
β-D-GalpNAc-(1->3)-α-D-Galp-(1->4)-β-D-Galp-(1->4)-D-Glcp
(Gal)2 (GalNAc)1 (Glc)1
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glc
GalNAcbeta1-3Galalpha1-4Galbeta1-4Glc~OH
More...
  • Miscellaneous

    • Chemical Class:

      A linear amino tetrasaccharide consisting of <stereo>D</stereo>-glucose at the reducing end having an <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galactosaminyl-(1<arrow>right </arrow>3)-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl moiety attached at the 4-position. ChEBI CHEBI:63013
      A linear amino tetrasaccharide consisting of D-glucose at the reducing end having an N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl moiety attached at the 4-position . ChEBI CHEBI:63013
      A linear amino tetrasaccharide consisting of D-glucose at the reducing end having an N-acetyl-beta-D-galactosaminyl-(1right; 3)-alpha-D-galactosyl-(1right4)-beta-D-galactosyl moiety attached at the 4- position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63013

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1123.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.9±6.0 kJ/mol
Flash Point: 633.1±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 14
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -4.11
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 357 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 113.0±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

Click to predict properties on the Chemicalize site


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