ChemSpider 2D Image | alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc | C26H45NO19

α-L-Fucp-(1->2)-β-D-Galp-(1->4)-[α-L-Fucp-(1->3)]-β-D-GlcpNAc

  • Molecular FormulaC26H45NO19
  • Average mass675.631 Da
  • Monoisotopic mass675.258606 Da
  • ChemSpider ID26327318

  • defined stereocentres - 20 of 20 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
α-L-Fucp-(1->2)-β-D-Galp-(1->4)-[α-L-Fucp-(1->3)]-β-D-GlcpNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1->2)-β-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
6-Deoxy-α-L-Galactopyranosyl-(1->3)-[6-Deoxy-α-L-Galactopyranosyl-(1->2)-β-D-Galactopyranosyl-(1->4)]-2-(Acetylamino)-2-Deoxy-β-D-Glucopyranose
BDZ
Fuca1-2Galb1-4(Fuca1-3)GlcNAcb
Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAc
Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide consisting of <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine at the reducing end having an <stereo>alpha</stereo>-<stereo>L</stereo>- fucosyl residue attached at the 3-position and an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl moiety attached at the 4-position. A cancer-associated tetrasaccharide antigen which constitutes the core structure recognised by therapeutic antibody BR96. Conformational restriction around the GlcNAc residue is a key feat ure of its structure. ChEBI CHEBI:59045
      A branched amino tetrasaccharide consisting of N-acetyl-beta-D-glucosamine at the reducing end having an alpha-L-; fucosyl residue attached at the 3-position and an alpha-L-fucosyl-(1right2)-beta-D-ga lactosyl moiety attached at the ; 4-position. A cancer-associated tetrasaccharide antigen which constitutes the core structure recognised by therapeutic antibody BR96. Conformational restriction aroun d the GlcNAc residue is a key feature of its structure. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59045
      A branched amino tetrasaccharide consisting of N-acetyl-beta-D-glucosamine at the reducing end having an alpha-L-fucosyl residue attached at the 3-position and an alpha-L-fucosyl-(1->2)-beta-D-galacto syl moiety attached at the 4-position. A cancer-associated tetrasaccharide antigen which constitutes the core structure recognised by therapeutic antibody BR96. Conformational restriction around the G lcNAc residue is a key feature of its structure. ChEBI CHEBI:59045

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1009.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 166.9±6.0 kJ/mol
Flash Point: 564.1±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 12
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.29
ACD/LogD (pH 5.5): -1.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.98
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.98
Polar Surface Area: 316 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 96.2±5.0 dyne/cm
Molar Volume: 407.4±5.0 cm3

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