1-Palmitoyl-2-(9-(2-anthryl)nonanoyl)glycero-3-phosphocholine

Base Information

• Chemical Name: 1-Palmitoyl-2-(9-(2-anthryl)nonanoyl)glycero-3-phosphocholine
• CAS No.: 97992-77-3
• Molecular Formula: C47H74 N O8 P
• Molecular Weight: 812.066121
• DSSTox Substance ID: DTXSID80243357
• Mol file: 97992-77-3.mol

Synonyms:1-palmitoyl-2-(9-(2-anthryl)nonanoyl)glycero-3-phosphocholine;Anthr-PC

Chemical Property of 1-Palmitoyl-2-(9-(2-anthryl)nonanoyl)glycero-3-phosphocholine

Chemical Property:

• PSA: 121.00000
• LogP: 12.48050
• XLogP3: 13.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 35
• Exact Mass: 811.51520532
• Heavy Atom Count: 57
• Complexity: 1110

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC1=CC2=CC3=CC=CC=C3C=C2C=C1
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC1=CC2=CC3=CC=CC=C3C=C2C=C1

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