ChemSpider 2D Image | alpha-Neup5Ac-(2->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)]-D-GalpNAc | C36H59N3O27

α-Neup5Ac-(2->6)-[α-Neup5Ac-(2->3)-β-D-Galp-(1->3)]-D-GalpNAc

  • Molecular FormulaC36H59N3O27
  • Average mass965.858 Da
  • Monoisotopic mass965.333618 Da
  • ChemSpider ID28533676

  • defined stereocentres - 21 of 22 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)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranono syl-(2->3)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galactopyranose [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-[(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyrano nosyl-(2->3)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-desoxy-D-galactopyranose [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)-[(6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyrano nosyl-(2->3)-β-D-galactopyranosyl-(1->3)]-2-acétamido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]
D-Galactopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->6)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-β-D-galac topyranosyl-(1->3)]-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-Neup5Ac-(2->6)-[α-Neup5Ac-(2->3)-β-D-Galp-(1->3)]-D-GalpNAc
-2-deoxy-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)]-2-acetamido
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->6)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranose
missing
N-acetyl-α-neuraminyl-(2->3)-β-D-galactosyl-(1->3)-[N-acetyl-α-neuraminyl-(2->6)]-N-acetyl-D-glucosamine
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide consisting of a linear sequence of <stereo>alpha</stereo>-neuraminyl, <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl and <element>N</element>-acetyl-<stereo>D</st ereo>-galactosamine residues linked (2<arrow>right</arrow>3) and (1<arrow>right</arrow>6), to the <element>N</element>-acetyl-<stereo>D</stereo>-galactosamine residue of which is also linked (2<arrow> right</arrow>6) another <stereo>alpha</stereo>-neuraminyl residue. ChEBI CHEBI:71600
      A branched amino tetrasaccharide consisting of a linear sequence of alpha-neuraminyl, beta-D-galactosyl and N-acetyl-D-galactosamine residues linked (2->3) and (1->6), to the N-acetyl-D-galactosamine residue of which is also linked (2->6) another alpha-neuraminyl residue. ChEBI CHEBI:71600
      A branched amino tetrasaccharide consisting of a linear sequence of alpha-neuraminyl, beta-D-galactosyl and N-acetyl-D-galactosamine residues linked (2right3) and (1right6), to the N-acetyl-D-galactos amine residue of which is also linked (2right6) another alpha-neuraminyl residue. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71600

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1461.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 251.5±6.0 kJ/mol
Flash Point: 837.5±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 206.9±0.4 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: -4.95
ACD/LogD (pH 5.5): -10.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 490 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 111.9±5.0 dyne/cm
Molar Volume: 557.9±5.0 cm3

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