N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

Base Information

• Chemical Name: N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide
• CAS No.: 71208-06-5
• Molecular Formula: C20H35 N O15
• Molecular Weight: 529.49
• UNII: WR4ZB0LRW9
• DSSTox Substance ID: DTXSID80991523
• Wikidata: Q76149867
• Metabolomics Workbench ID: 38943
• Mol file: 71208-06-5.mol

Synonyms:Lex tri;71208-06-5;N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide;Lex;CD 15 antigen;WR4ZB0LRW9;3-Fucosyl-N-acetylactosamine;DTXSID80991523;Gal-b-1,4(Fuc-a1,3)GlcNAc;HY-N10534;CS-0610609;F77805;2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-4-O-(b-D-galactopyranosyl)-D-glucopyranoside;D-GLUCOSE, O-6-DEOXY-.ALPHA.-L-GALACTOPYRANOSYL-(1->3)-O-(.BETA.-D-GALACTOPYRANOSYL-(1->4))-2-(ACETYLAMINO)-2-DEOXY-;D-Glucose, O-6-deoxy-alpha-L-galactopyranosyl-(1-3)-O-(beta-D-galactopyranosyl-(1-4))-2-(acetylamino)-2-deoxy-;N-((2R,3R,4R,5R)-5,6-Dihydroxy-1-oxo-4-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexan-2-yl)acetamide;N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-2-yl]acetamide;O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-D-Glucose;O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-delta-Glucose

Chemical Property of N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 155-156°C
• Boiling Point: 892.4°C at 760 mmHg
• Flash Point: 493.5°C
• PSA: 257.32000
• Density: 1.65g/cm³
• LogP: -6.01070
• Storage Temp.: 2-8°C
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -6.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 529.20066941
• Heavy Atom Count: 36
• Complexity: 715

Purity/Quality:

98%Min ^*data from raw suppliers

Lewis X Trisaccharide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC(C(C=O)NC(=O)C)C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O
• Isomeric SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
• Uses: Lewisx tumor-associated trisaccharide antigen, E- and P-selectin ligand, anti-inflammatory agent