ChemSpider 2D Image | 2-Acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranos yl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose | C50H84N4O36

2-Acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranos yl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose

  • Molecular FormulaC50H84N4O36
  • Average mass1317.207 Da
  • Monoisotopic mass1316.486572 Da
  • ChemSpider ID28533531

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranos yl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyra nosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyra nosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-α-D-glucopyranosyl-(1->4)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-O -2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->3)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranos
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
GlcNAca1-4Galb1-4GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb
GlcNAcalpha1-4Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta
missing
N-acetyl-α-D-glucosaminyl-(1->4)-β-D-galactosyl-(1->;4)-N-acetyl-α-D-glucosaminyl-(1->3)-β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->3)-β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosaminealpha-D-GlcNAc-(1->;4)-β-D-Gal-(1->4)-β-D-GlcNAc-(1->3)-β-D-Gal-(1->;4)-β-D-GlcNAc-(1->3)-β-D-Gal-(1->4)-β-D-GlcNAc
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  • Miscellaneous

    • Chemical Class:

      A linear amino heptasaccharide comprising <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine at the reducing end with an <element>N</element>-acetyl-<stereo>beta</stereo> -<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>4)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</ster eo>-glucosaminyl-(1<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl -(1<arrow>right</arrow>3)-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl moiety at the 4-position. ChEBI CHEBI:71318
      A linear amino heptasaccharide comprising N-acetyl-beta-D-glucosamine at the reducing end with an N-acetyl-beta; -D-glucosaminyl-(1right4)-beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1ri ght3)-beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl; -(1right3)-beta-D-galactosyl moiety at the 4-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71318
      A linear amino heptasaccharide comprising N-acetyl-beta-D-glucosamine at the reducing end with an N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta- D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl moiety at the 4-position. ChEBI CHEBI:71318

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1672.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 295.9±6.0 kJ/mol
Flash Point: 965.3±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 285.4±0.4 cm3
#H bond acceptors: 40
#H bond donors: 23
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 3
ACD/LogP: -6.02
ACD/LogD (pH 5.5): -7.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 621 Å2
Polarizability: 113.1±0.5 10-24cm3
Surface Tension: 109.1±5.0 dyne/cm
Molar Volume: 766.4±5.0 cm3

Click to predict properties on the Chemicalize site


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