Pubchem_53384435

Base Information

• Chemical Name: Pubchem_53384435
• CAS No.: 127923-85-7
• Molecular Formula: C43H72N2O33
• Molecular Weight: 1145.03
• DSSTox Substance ID: DTXSID40693718

Synonyms:PUBCHEM_53384435;127923-85-7;DTXSID40693718;MFCD20265602;S0849;D92273;Neu5Ac alpha(2-3)Gal beta(1-4)[Fuc alpha(1-3)]GlcNAc beta(1-3)Gal beta(1-4)Glc

Chemical Property of Pubchem_53384435

Chemical Property:

• XLogP3: -12
• Hydrogen Bond Donor Count: 21
• Hydrogen Bond Acceptor Count: 33
• Rotatable Bond Count: 20
• Exact Mass: 1144.4017327
• Heavy Atom Count: 78
• Complexity: 1950

Purity/Quality:

97% ^*data from raw suppliers

Sialyl Lewis X-Lactose >97.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)OC4(CC(C(C(O4)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC5C(C(OC(C5O)OC6C(OC(C(C6O)O)O)CO)CO)O)NC(=O)C)O)O)O
• Isomeric SMILES: CC1[C@H](C([C@@H]([C@@H](O1)OC2[C@@H]([C@@H](OC([C@H]2O[C@H]3[C@H](C([C@H](C(O3)CO)O)O[C@@]4(C[C@H]([C@H](C(O4)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)CO)OC5[C@@H]([C@@H](OC([C@@H]5O)CO)O[C@@H]6C(O[C@H]([C@H](C6O)O)O)CO)O)NC(=O)C)O)O)O

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