N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide

Base Information

• Chemical Name: N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide
• CAS No.: 52134-33-5
• Molecular Formula: C26H45NO21
• Molecular Weight: 707.63
• Metabolomics Workbench ID: 39001

Synonyms:Alpha-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcp;CHEBI:184347;a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 2)-a-D-Manp-(1 -> 3)-b-D-Manp-(1 -> 4)-D-GlcNAcpO-alpha-D-mannopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- D-Glucose;alpha-D-Manp-(1 -> 2)-alpha-D-Manp-(1 -> 2)-alpha-D-Manp-(1 -> 3)-beta-D-Manp-(1 -> 4)-D-GlcNAcpO-alpha-D-mannopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-beta-D-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- D-Glucose;N-[(2R,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-4-[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4S,5R)-4-{[(2S,3S,4S,5R,6R)-4-{[(2R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]ethanimidic acid;O-alpha-delta-mannopyranosyl-(1->2)-O-alpha-delta-mannopyranosyl-(1->3)-O-beta-delta-mannopyranosyl-(1->4)-2-(acetylamino)-2-deoxy- D-Glucose

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

Chemical Property:

• XLogP3: -8.2
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 15
• Exact Mass: 707.24840744
• Heavy Atom Count: 48
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(C=O)C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)O)O
• Isomeric SMILES: CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]2C([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

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