ChemSpider 2D Image | alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc | C31H52N2O23

α-Neu5Ac-(2->3)-β-D-Gal-(1->3)-[α-L-Fuc-(1->4)]-β-D-GlcNAc

  • Molecular FormulaC31H52N2O23
  • Average mass820.744 Da
  • Monoisotopic mass820.296082 Da
  • ChemSpider ID26332815

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-be ta-D-glucopyranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;3)-[6-desoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy -β-D-glucopyranose [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;3)-[6-désoxy-α-L-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy -β-D-glucopyranose [French] [ACD/IUPAC Name]
α-Neu5Ac-(2->3)-β-D-Gal-(1->3)-[α-L-Fuc-(1->4)]-β-D-GlcNAc
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->4)]-2-(acetylamino)-2- deoxy- [ACD/Index Name]
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-β-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)-[α-L-fucopyranosyl-(1->;4)]-2-acetamido-2-deoxy-β-D-glucopyranose
missing
N-acetyl-α-neuraminosyl-(2->3)-β-D-galactosyl-(1->3)-[α-L-fucosyl-(1->4)]-N-acetyl-β-D-glucosamine
Neu5Aca2-3Galb1-3(Fuca1-4)GlcNAcb
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide consisting of a sialyl residue, linked (2<arrow>right</arrow>3) to a galactosyl residue that in turn is linked (1<arrow>right</arrow>3) to a glucosaminyl residue at th e reducing end, which is also carrying a fucosyl residue at the 4-position. ChEBI CHEBI:62681
      A branched amino tetrasaccharide consisting of a sialyl residue, linked (2->3) to a galactosyl residue that in turn is linked (1->3) to a glucosaminyl residue at the reducing end, which is also carryi ng a fucosyl residue at the 4-position. ChEBI CHEBI:62681
      A branched amino tetrasaccharide consisting of a sialyl residue, linked (2right3) to a galactosyl residue that in turn is linked (1right3) to a glucosaminyl residue at th; e reducing end, which is als o carrying a fucosyl residue at the 4-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62681

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1279.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 215.8±6.0 kJ/mol
Flash Point: 727.7±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 176.8±0.4 cm3
#H bond acceptors: 25
#H bond donors: 15
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -6.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 403 Å2
Polarizability: 70.1±0.5 10-24cm3
Surface Tension: 104.9±5.0 dyne/cm
Molar Volume: 482.9±5.0 cm3

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