ChemSpider 2D Image | beta-D-GalpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-alpha-D-Galp | C28H48N2O20

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

  • Molecular FormulaC28H48N2O20
  • Average mass732.682 Da
  • Monoisotopic mass732.280029 Da
  • ChemSpider ID26332148

  • defined stereocentres - 20 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->4)-[6-deoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-α-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-galactopyranosyl-(1->4)-[6-desoxy-α-L-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-α-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-galactopyranosyl-(1->4)-[6-désoxy-α-L-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-α-D-galactopyranose [French] [ACD/IUPAC Name]
α-D-Galactopyranose, O-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl-(1->4)-O-[6-deoxy-α-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)- [ACD/Index Name]
β-D-GalpNAc-(1->4)-[α-L-Fucp-(1->;3)]-β-D-GlcpNAc-(1->3)-α-D-Galp
2-acetamido-2-deoxy-β-D-galactopyranosyl-(1->4)-[α-L-fucopyranosyl-(1->;3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-α-D-galactopyranose
GalNAcbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galalpha1
missing
N-acetyl-β-D-galactosaminyl-(1->4)-[α-L-fucosyl-(1->;3)]-N-acetyl-β-D-glucosaminyl-(1->3)-α-D-galactose
β-D-GalNAc-(1->4)-[α-L-Fuc-(1->3)]-β-D-GlcNAc-(1->3)-α-D-Gal
  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide comprising <stereo>alpha</stereo>-<stereo>D</stereo>-galactose at the reducing end having a <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-galact osaminyl-(1<arrow>right</arrow>4)-[<stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl-(1<arrow>right</arrow>3)]-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl moiety attached at the 3-position. ChEBI CHEBI:61179
      A branched amino tetrasaccharide comprising alpha-D-galactose at the reducing end having a N-acetyl-beta-D-galact; osaminyl-(1right4)-[alpha-L-fucosyl-(1right3)]-N-acetyl-beta-D-glucosaminyl moiety ; attached at the 3-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61179
      A branched amino tetrasaccharide comprising alpha-D-galactose at the reducing end having a N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl moiety attached a t the 3-position. ChEBI CHEBI:61179

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1121.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 186.6±6.0 kJ/mol
Flash Point: 632.2±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.89
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

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