ChemSpider 2D Image | alpha-KDN-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-D-GlcpNAc | C29H49NO23

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

  • Molecular FormulaC29H49NO23
  • Average mass779.692 Da
  • Monoisotopic mass779.269531 Da
  • ChemSpider ID28533586

  • defined stereocentres - 20 of 21 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->3)-[(6R)-3-deoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->3)-[(6R)-3-desoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->3)-[(6R)-3-désoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)]-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->3)-O-[O-3-deoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-KDN-(2->3)-β-D-Galp-(1->4)-[α-L-Fucp-(1->3)]-D-GlcpNAc
3-deoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2->;3)-β-D-galactopyranosyl-(1->4)-[α-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranose
6-deoxy-α-L-galactopyranosyl-(1->3)-[3-deoxy-D-glycero-α-D-galacto-non-2-ulopyranosonyl-(2->3)-β-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyranose
deamino-α-neuraminyl-(2->3)-β-D-galactosyl-(1->4)-[α-L-fucosyl-(1->3)]-N-acetyl-β-D-glucosamine
KDNa2-3Galb1-4(Fuca1-3)GlcNAc
KDNα2-3Galbeta1-4(Fucalpha1-3)GlcNAc
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  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide consisting of <stereo>alpha</stereo>-KDN, <stereo>beta</stereo>-<stereo>D</stereo>-galactose and <element>N</element>-acetyl-<stereo>D</stereo>-glucosamine residues li nked sequentially (2<arrow>right</arrow>3) and (1<arrow>right</arrow>4), with an <stereo>alpha</stereo>-<stereo>L</stereo>-fucose residue linked (1<arrow>right</arrow>3) to the <element>N</element>-ac etyl-<stereo>D</stereo>-glucosamine at the reducing end. ChEBI CHEBI:71440
      A branched amino tetrasaccharide consisting of alpha-KDN, beta-D-galactose and N-acetyl-D-glucosamine residues li; nked sequentially (2right3) and (1right4), with an alpha-L-fucose residue linked (1ri ght3) to the N-ac; etyl-D-glucosamine at the reducing end. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71440
      A branched amino tetrasaccharide consisting of alpha-KDN, beta-D-galactose and N-acetyl-D-glucosamine residues linked sequentially (2->3) and (1->4), with an alpha-L-fucose residue linked (1->3) to th e N-acetyl-D-glucosamine at the reducing end. ChEBI CHEBI:71440

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1227.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 206.1±6.0 kJ/mol
Flash Point: 696.4±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 165.3±0.4 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -5.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 394 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 113.3±5.0 dyne/cm
Molar Volume: 444.0±5.0 cm3

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