6-O-(3-Hydroxy-2-docosylhexacosanoyl)-N-acetylmuramyl-L-alanyl-D-isoglutamine

Base Information

• Chemical Name: 6-O-(3-Hydroxy-2-docosylhexacosanoyl)-N-acetylmuramyl-L-alanyl-D-isoglutamine
• CAS No.: 81649-55-0
• Molecular Formula: C65H124N4O12
• Molecular Weight: 1153.6997
• Mol file: 81649-55-0.mol

Synonyms:6-O-(3-hydroxy-2-docosylhexacosanoyl)-N-acetylmuramyl-L-alanyl-D-isoglutamine;6-O-(3-hydroxy-2-docosylhexacosanoyl)muramyl dipeptide;BH48-MDP

Chemical Property of 6-O-(3-Hydroxy-2-docosylhexacosanoyl)-N-acetylmuramyl-L-alanyl-D-isoglutamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1185.2°Cat760mmHg
• Flash Point: 670.6°C
• PSA: 278.53000
• Density: 1.07g/cm³
• LogP: 16.11670
• XLogP3: 20
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 57
• Exact Mass: 1152.92157540
• Heavy Atom Count: 81
• Complexity: 1560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)C(=O)NC1C(C(C(OC1O)CO)O)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)O)O
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCCCC)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N)C(=O)O)O

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