ChemSpider 2D Image | GalGlcNAcMan3GlcNAc2-I | C48H81N3O36

GalGlcNAcMan3GlcNAc2-I

  • Molecular FormulaC48H81N3O36
  • Average mass1276.155 Da
  • Monoisotopic mass1275.459961 Da
  • ChemSpider ID24606126

  • defined stereocentres - 35 of 35 defined stereocentres

More details:

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

GalGlcNAcMan3GlcNAc2-I
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-gl ucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D- glucopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D- glucopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-deox y-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranosyl-(1->4)-2-deoxy-2-[(E)-(1-hydroxyethylidene)amino]-β-D-glucopyranose [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-deso xy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranosyl-(1->4)-2-desoxy-2-[(E)-(1-hydroxyethyliden)amino]-β-D-glucopyranose [German] [ACD/IUPAC Name]
β-D-Galactopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->6)-[α-D-mannopyranosyl-(1->3)]-β-D-mannopyranosyl-(1->4)-2-dés oxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranosyl-(1->4)-2-désoxy-2-[(E)-(1-hydroxyéthylidène)amino]-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->6)-O-[α-D-mannopyranosyl-(1->3)]-O-β-D-mannopyranosyl- (1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
β-D-Glucopyranose, O-β-D-galactopyranosyl-(1->4)-O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->2)-O-α-D-mannopyranosyl-(1->6)-O-[α-D-mannopyranosyl-(1->3)]-O-be ta-D-mannopyranosyl-(1->4)-O-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]-β-D-glucopyranosyl-(1->4)-2-deoxy-2-[[(1E)-1-hydroxyethylidene]amino]- [ACD/Index Name]
Galb1-4GlcNAcb1-2Mana1-6(Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino heptasaccharide consisting of a sequence of <stereo>beta</stereo>-<stereo>D</stereo>-galactose, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine, <ster eo>alpha</stereo>-<stereo>D</stereo>-mannose, <stereo>beta</stereo>-<stereo>D</stereo>-mannose and two <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residues linked (1<arrow>right</arrow>4), (1<arrow>right</arrow>2), (1<arrow>right</arrow>6), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4), with an <stereo>alpha</stereo>-<stereo>D</stereo>-mannose linked (1 <arrow>right</arrow>3) to the <stereo>beta</stereo>-<stereo>D</stereo>-mannose residue. ChEBI CHEBI:71485
      A branched amino heptasaccharide consisting of a sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose and two N-acetyl-beta-D-glucosamine residues linked (1->4), (1->2), (1->6), (1->4) and (1->4), with an alpha-D-mannose linked (1->3) to the beta-D-mannose residue. ChEBI CHEBI:71485
      A branched amino heptasaccharide consisting of a sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose and two N-acetyl-beta-D-glucosamine residues linked ; (1righ t4), (1right2), (1right6), (1right4) and (1right4), with an alpha-D-mannose linked (1; right3) to the beta-D-mannose residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71485

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

Density: 2.0±0.1 g/cm3
Boiling Point: 1553.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 270.6±6.0 kJ/mol
Flash Point: 893.4±37.1 °C
Index of Refraction: 1.727
Molar Refractivity: 252.2±0.5 cm3
#H bond acceptors: 39
#H bond donors: 23
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -4.87
ACD/LogD (pH 5.5): -6.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 622 Å2
Polarizability: 100.0±0.5 10-24cm3
Surface Tension: 87.8±7.0 dyne/cm
Molar Volume: 633.9±7.0 cm3

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