ChemSpider 2D Image | beta-D-Galp-(1->4)-alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc | C34H58N2O25

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

  • Molecular FormulaC34H58N2O25
  • Average mass894.823 Da
  • Monoisotopic mass894.332886 Da
  • ChemSpider ID28533327

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

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

6-Deoxy-α-L-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosato(4 -) [ACD/IUPAC Name]
6-Desoxy-α-L-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-α-L-galactopyranosyl-(1->2)-[β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)]-β-D-galactopyranosyl-(1->;4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Galp-(1->4)-α-D-GalpNAc-(1->3)-[α-L-Fucp-(1->;2)]-β-D-Galp-(1->4)-β-D-GlcpNAc
β-D-Glucopyranose, O-6-deoxy-α-L-galactopyranosyl-(1->2)-O-[O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)]-O-β-D-galactopyranosyl-(1->4)-2-(acetyla mino)-2-deoxy- [ACD/Index Name]
Galb1-4GalNAca1-3(Fuca1-2)Galb1-4GlcNAcb
Galbeta1-4GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta
missing
WURCS=2.0/4,5,4/[a2122h-1b1-52*NCC/3=O][a2112h-1b1-5][a1221m-1a1-5][a2112h-1a1-52*NCC/3=O]/1-2-3-4-2/a4-b1b2-c1b3-d1_d4-e1
α-L-Fuc-(1->2)-[β-D-Gal-(1->4)-α-D-GalNAc-(1->3)]-β-D-Gal-(1->4)-β-D-GlcNAc
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino pentasaccharide comprised of a linear chain of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-galactosamine, <stereo>beta</stereo>-<stereo>D</stereo>-galactose and <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residues linked sequentially (1<arrow>right</arrow>4), (1<arrow >right</arrow>3) and (1<arrow>right</arrow>4), with an <stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl residue linked (1<arrow>right</arrow>2) to the galactose residue proximal to the reducing-end < element>N</element>-acetylglucosamine residue. ChEBI CHEBI:70841
      A branched amino pentasaccharide comprised of a linear chain of beta-D-galactose, N-acetyl-alpha-D-galactosamine, beta-D-galactose and N-acetyl-beta-D-glucosamine residues linked sequentially (1->4), (1->3) and (1->4), with an alpha-L-fucosyl residue linked (1->2) to the galactose residue proximal to the reducing-end N-acetylglucosamine residue. ChEBI CHEBI:70841
      A branched amino pentasaccharide comprised of a linear chain of beta-D-galactose, N-acetyl-alpha-D-galactosamine,; beta-D-galactose and N-acetyl-beta-D-glucosamine residues linked sequentially (1righ t4), (1right3) and (1right4), with an alpha-L-fucosyl residue linked (1right2) to the galactose residue proximal to the reducing-end N-acetylglucosamine residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70841

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1284.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 216.7±6.0 kJ/mol
Flash Point: 730.5±34.3 °C
Index of Refraction: 1.656
Molar Refractivity: 193.4±0.4 cm3
#H bond acceptors: 27
#H bond donors: 16
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.88
ACD/LogD (pH 5.5): -4.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 424 Å2
Polarizability: 76.7±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 526.8±5.0 cm3

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