ChemSpider 2D Image | alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GalpNAc | C28H48N2O20

α-D-GalpNAc-(1->3)-[α-L-Fucp-(1->2)]-β-D-Galp-(1->3)-D-GalpNAc

  • Molecular FormulaC28H48N2O20
  • Average mass732.682 Da
  • Monoisotopic mass732.280029 Da
  • ChemSpider ID26332304

  • defined stereocentres - 19 of 20 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[6-deoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-α-D-galactopyranosyl-(1->3)-[6-desoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-2-acetamido-2-desoxy-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-α-D-galactopyranosyl-(1->3)-[6-désoxy-α-L-galactopyranosyl-(1->2)]-β-D-galactopyranosyl-(1->3)-2-acétamido-2-désoxy-D-galactopyranose [French] [ACD/IUPAC Name]
D-Galactopyranose, O-2-(acetylamino)-2-deoxy-α-D-galactopyranosyl-(1->3)-O-[6-deoxy-α-L-galactopyranosyl-(1->;2)]-O-β-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy- [ACD/Index Name]
α-D-GalpNAc-(1->3)-[α-L-Fucp-(1->;2)]-β-D-Galp-(1->3)-D-GalpNAc
(Gal)1 (GalNAc)2 (LFuc)1
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1->3)-[α-L-fucopyranosyl-(1->;2)]-β-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose
missing
N-acetyl-α-D-galactosaminyl-(1->3)-[α-L-fucosyl-(1->;2)]-β-D-galactosyl-(1->3)-N-acetyl-D-galactosamine
WURCS=2.0/4,4,3/[a2112h-1x1-52*NCC/3=O][a2112h-1b1-5][a1221m-1a1-5][a2112h-1a1-52*NCC/3=O]/1-2-3-4/a3-b1b2-c1b3-d1
More...
  • Miscellaneous

    • Chemical Class:

      A branched amino tetrasaccharide comprising <element>N</element>-acetyl-<stereo>D</stereo>-galactosamine at the reducing end with a <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo >-galactosaminyl-(1<arrow>right</arrow>3)-[<stereo>alpha</stereo>-<stereo>L</stereo>-fucosyl-(1<arrow>right</arrow>2)]-<stereo>beta</stereo>-<stereo>D</stereo>-galactosyl moiety attached at the 3-posi tion. ChEBI CHEBI:61635
      A branched amino tetrasaccharide comprising N-acetyl-D-galactosamine at the reducing end with a N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl moiety attached at the 3-position. ChEBI CHEBI:61635
      A branched amino tetrasaccharide comprising N-acetyl-D-galactosamine at the reducing end with a N-acetyl-alpha-D-galactosaminyl-(1right3)-[alpha-L-fucosyl-(1right2)]-beta-D-galactosyl moiety attached at the 3-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:61635

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1143.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 190.6±6.0 kJ/mol
Flash Point: 645.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 159.7±0.4 cm3
#H bond acceptors: 22
#H bond donors: 13
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 345 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 96.3±5.0 dyne/cm
Molar Volume: 443.5±5.0 cm3

Click to predict properties on the Chemicalize site


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