ChemSpider 2D Image | alpha-Neup5Ac-(2->6)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc | C35H58N4O24

α-Neup5Ac-(2->6)-β-D-GlcpNAc-(1->4)-β-D-GlcpNAc-(1->4)-D-GlcpNAc

  • Molecular FormulaC35H58N4O24
  • Average mass918.847 Da
  • Monoisotopic mass918.344116 Da
  • ChemSpider ID28533753

  • defined stereocentres - 20 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->6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1-> ;4)-2-acetamido-2-deoxy-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->6)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->;4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-( 1->4)-2-acetamido-2-desoxy-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->6)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->;4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-( 1->4)-2-acétamido-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->;6)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranos yl-(1->4)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-Neup5Ac-(2->6)-β-D-GlcpNAc-(1->;4)-β-D-GlcpNAc-(1->4)-D-GlcpNAc
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;4)-2-acetamido-2-deoxy-D-gl
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->;4)-2-acetamido-2-deoxy-D-glucopyranose
missing
N-acetyl-α-neuraminyl-(2->6)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine
Neu5Aca2-6GlcNAcb1-4GlcNAcb1-4GlcNAc
More...
  • Miscellaneous

    • Chemical Class:

      An amino tetrasaccharide comprising an <stereo>alpha</stereo>-sialyl residue, two <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl residues and an <element>N</element> -acetyl-<stereo>D</stereo>-glucosamine residue linked in a (2<arrow>right</arrow>6), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4) sequence. ChEBI CHEBI:72318
      An amino tetrasaccharide comprising an alpha-sialyl residue, two N-acetyl-beta-D-glucosaminyl residues and an N; -acetyl-D-glucosamine residue linked in a (2right6), (1right4) and (1right4) sequence. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72318
      An amino tetrasaccharide comprising an alpha-sialyl residue, two N-acetyl-beta-D-glucosaminyl residues and an N-acetyl-D-glucosamine residue linked in a (2->6), (1->4) and (1->4) sequence. ChEBI CHEBI:72318

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1421.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 243.5±6.0 kJ/mol
Flash Point: 813.4±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 201.3±0.4 cm3
#H bond acceptors: 28
#H bond donors: 16
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -8.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 441 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 98.2±5.0 dyne/cm
Molar Volume: 557.5±5.0 cm3

Click to predict properties on the Chemicalize site


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