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

  • Molecular FormulaC84H138N6O62
  • Average mass2223.998 Da
  • Monoisotopic mass2222.782959 Da
  • ChemSpider ID28533744

  • 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->6)-[(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2) ;-α-D-mannopyranosyl-(1->3)]-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->6)-[(6R)-5-acetamido-3,5-didesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1 ->2)-α-D-mannopyranosyl-(1->3)]-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->6)-[(6R)-5-acétamido-3,5-didésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-thréo-hex-2-ulopyranonosyl-(2->6)-β-D-galactopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1 ->2)-α-D-mannopyranosyl-(1->3)]-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->6)-O-[O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2->6)-O-β-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1->;2)-a lpha-D-mannopyranosyl-(1->3)]-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->6)-β-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->2)-α-D-mannopyranosyl-(1->;3)]-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->6)-[5-acetamido
Neu5Aca2-6Galb1-4GlcNAcb1-2Mana1-3(Neu5Aca2-3Galb1-4GlcNAcb1-2Mana1-6)Manb1-4GlcNAcb1-4GlcNAcb
Neu5Acalpha2-3Galbeta1-4GlcNAcbeta1-2Manalpha1-6(Neu5Acalpha2-6Galbeta1-4GlcNAcbeta1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAc
Neu5Acalpha2-6Galbeta1-4GlcNAcbeta1-2Manalpha1-3(Neu5Acalpha2-3Galbeta1-4GlcNAcbeta1-2Manalpha1-6)Manbeta1-4GlcNAcbeta1-4GlcNAc
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino oligosaccharide (an undecasaccharide derivative) comprising a sequence of <stereo>alpha</stereo>-sialyl, <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl, <element>N</element>-acet yl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosaminyl, <stereo>alpha</stereo>-<stereo>D</stereo>-mannosyl, <stereo>beta</stereo>-<stereo>D</stereo>-mannosyl, <element>N</element>-acetyl-<stereo>bet a</stereo>-<stereo>D</stereo>-glucosaminyl and <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residues linked respectively (2<arrow>right</arrow>3), (1<arrow>right</a rrow>4), (1<arrow>right</arrow>2), (1<arrow>right</arrow>6), (1<arrow>right</arrow>4) and (1<arrow>right</arrow>4), to the <stereo>beta</stereo>-<stereo>D</stereo>-mannosyl residue of which is also li nked (1<arrow>right</arrow>3) an <stereo>alpha</stereo>-sialyl-(2<arrow>right</arrow>6)- <stereo>beta</stereo>-<stereo>D</stereo>-galactosyl-(1<arrow>right</arrow>4)-<element>N</element>-acetyl-<stere o>beta</stereo>-<stereo>D</stereo>-glucosaminyl-(1<arrow>right</arrow>2)-<stereo>beta</stereo>-<stereo>D</stereo>-<stereo>alpha</stereo>-<stereo>D</stereo>-mannosyl branch. ChEBI CHEBI:72002
      A branched amino oligosaccharide (an undecasaccharide derivative) comprising a sequence of alpha-sialyl, beta-D-galactosyl, N-acet; yl-beta-D-glucosaminyl, alpha-D-mannosyl, beta-D-mannosyl, N-acetyl- bet; a-D-glucosaminyl and N-acetyl-beta-D-glucosamine residues linked respectively (2right3), (1right4), (1right2), (1right6), (1right4) and (1right4), to the beta-D-mannosyl residue of which is also li; nked (1right3) an alpha-sialyl-(2right6)- beta-D-galactosyl-(1right4)-N-acetyl-beta-D-glucosaminyl-(1right2)-beta-D-alpha-D-mannosyl branch. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72002
      A branched amino oligosaccharide (an undecasaccharide derivative) comprising a sequence of alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl, alpha-D-mannosyl, beta-D-mannosyl, N-acetyl-be ta-D-glucosaminyl and N-acetyl-beta-D-glucosamine residues linked respectively (2->3), (1->4), (1->2), (1->6), (1->4) and (1->4), to the beta-D-mannosyl residue of which is also linked (1->3) an alpha -sialyl-(2->6)- beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-beta-D-alpha-D-mannosyl branch. ChEBI CHEBI:72002

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: -7.15
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

Click to predict properties on the Chemicalize site


Advertisement