ChemSpider 2D Image | (6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopy ranosyl-(1->3)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2) -alpha-D-mannopyranosyl-(1->6)]-beta-D-manno | C84H138N6O62

(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopy ranosyl-(1->3)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2) -α-D-mannopyranosyl-(1->6)]-β-D-manno

  • Molecular FormulaC84H138N6O62
  • Average mass2223.998 Da
  • Monoisotopic mass2222.782959 Da
  • ChemSpider ID28533696

  • defined stereocentres - 57 of 57 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->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopy ranosyl-(1->3)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2) ;-α-D-mannopyranosyl-(1->6)]-β-D-manno [ACD/IUPAC Name]
(6R)-5-Acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->2)-α-D-manno pyranosyl-(1->3)-[(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1 ->2)-α-D-mannopyranosyl-(1->6)]-β-D-m [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->;4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->2)-α-D-manno pyranosyl-(1->3)-[(6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1 ->2)-α-D-mannopyranosyl-(1->6)]-β-D-m [French] [ACD/IUPAC Name]
β-D-Glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->2)-O-α -D-mannopyranosyl-(1->3)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->3)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;2)-a lpha-D-mannopyranosyl-(1->6)]-O-β-D-manno [ACD/Index Name]
(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose
-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->;6)]-β-D-mannopyranosyl-
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2->3)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->3)-[5-acetamido
N-acetyl-α-neuraminyl-(2->3)-β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->2)-α-D-mannosyl-(1->3)-[N-acetyl-α-neuraminyl-(2->3)-β-D-galactosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->2)-α-D-mannosyl-(1->6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-β-D-glucosamineNeu5Aca2-3Galb1-4GlcNAcb1-2Mana1-3(Neu5Aca2-3Galb1-4GlcNAcb1-2Mana1-6)Manb1-4GlcNAcb1-4GlcNAcb
Neu5Aca2-3Galb1-4GlcNAcb1-2Mana1-6(Neu5Aca2-3Galb1-4GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAcb
Neu5Acalpha2-3Galbeta1-4GlcNAcbeta1-2Manalpha1-3(Neu5Acalpha2-3Galbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta
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  • Miscellaneous

    • Chemical Class:

      A branched amino oligosaccharide comprising a linear trisaccharide of <stereo>beta</stereo>-<stereo>D</stereo>-mannosyl and two <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glu cosaminyl residues all linked in sequence (1<arrow>right</arrow>4), to the mannosyl residue of which are (1<arrow>right</arrow>3)- and (1<arrow>right</arrow>6)-linked two identical branches consisting of <element>N</element>-acetyl-<stereo>alpha</stereo>-neuraminyl, <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl, <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminy l and <stereo>alpha</stereo>-<stereo>D</stereo>-mannosyl residues linked in a (2<arrow>right</arrow>3), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>2) sequence. ChEBI CHEBI:71643
      A branched amino oligosaccharide comprising a linear trisaccharide of beta-D-mannosyl and two N-acetyl-beta-D-glu; cosaminyl residues all linked in sequence (1right4), to the mannosyl residue of which are (1right3)- and (1right6)-linked two identical branches consisting; of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminy; l and alpha-D-mannosyl residues linked in a (2rig ht3), (1right4) and (1right2) sequence. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71643
      A branched amino oligosaccharide comprising a linear trisaccharide of beta-D-mannosyl and two N-acetyl-beta-D-glucosaminyl residues all linked in sequence (1->4), to the mannosyl residue of which are (1->3)- and (1->6)-linked two identical branches consisting of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and alpha-D-mannosyl residues linked in a (2->3), (1->4) and ( 1->2) sequence. ChEBI CHEBI:71643

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 477.4±0.4 cm3
#H bond acceptors: 68
#H bond donors: 39
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 3
ACD/LogP: -6.69
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 1070 Å2
Polarizability: 189.3±0.5 10-24cm3
Surface Tension: 122.6±5.0 dyne/cm
Molar Volume: 1247.5±5.0 cm3

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