Alpha-Trisaccharide

Base Information

• Chemical Name: Alpha-Trisaccharide
• CAS No.: 49777-13-1
• Molecular Formula: C20H35 N O15
• Molecular Weight: 529.49
• Metabolomics Workbench ID: 38963
• Mol file: 49777-13-1.mol

Synonyms:Alpha-Trisaccharide;CHEBI:185328;3-O-(2-Acetamido-2-deoxy-alpha-D-galactopyranosyl)-2-O-(alpha-L-fucopyranosyl)-D-galactose;3-O-(2-Acetamido-2-deoxy-alpha-delta-galactopyranosyl)-2-O-(alpha-L-fucopyranosyl)-delta-galactose;N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R)-3,4,5-trihydroxy-2-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentan-2-yl]oxyoxan-3-yl]acetamide;N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R)-3,4,5-trihydroxy-2-methyl-1-{[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}pentan-2-yl]oxy}oxan-3-yl]acetamide;O-[2-acetamido-2-deoxy-alpha-D-galactosyl-(1->3)]-O-alpha-L-fucopyranosyl-(1->2)- Galactose (7CI);O-[2-acetamido-2-deoxy-alpha-delta-galactosyl-(1->3)]-O-alpha-L-fucopyranosyl-(1->2)- Galactose (7CI);O-2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]- D-Galactose;O-2-(acetylamino)-2-deoxy-alpha-delta-galactopyranosyl-(1->3)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]- D-Galactose

Chemical Property of Alpha-Trisaccharide

Chemical Property:

• Boiling Point: 977.2±65.0 °C(Predicted)
• PKA: 12.92±0.70(Predicted)
• PSA: 257.32000
• Density: 1.60±0.1 g/cm3(Predicted)
• LogP: -6.01070
• XLogP3: -5.5
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 10
• Exact Mass: 515.22140485
• Heavy Atom Count: 35
• Complexity: 686

Purity/Quality:

98%Min ^*data from raw suppliers

Blood Group A trisaccharide- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OCC(C)(C(C(CO)O)O)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)O)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@](C)([C@H]([C@@H](CO)O)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)C)O)O)O

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