1-Tridecanoyl-sn-glycero-3-phosphocholine

Base Information

• Chemical Name: 1-Tridecanoyl-sn-glycero-3-phosphocholine
• CAS No.: 20559-17-5
• Molecular Formula: C21H44NO7P
• Molecular Weight: 453.5
• DSSTox Substance ID: DTXSID801347065
• Metabolomics Workbench ID: 14984
• ChEMBL ID: CHEMBL447595
• Mol file: 20559-17-5.mol

Synonyms:1-tridecanoyl-sn-glycero-3-phosphocholine;20559-17-5;PC(13:0/0:0);[(2R)-2-hydroxy-3-tridecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;CHEMBL447595;CHEBI:187987;DTXSID801347065;LMGP01050001;(2R)-2-Hydroxy-3-(tridecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate;13:0 Lyso PC, 1-tridecanoyl-2-hydroxy-sn-glycero-3-phosphocholine, powder;3,5,9-Trioxa-4-phosphadocosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-;3,5,9-Trioxa-4-phosphadocosan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(7R)-

Chemical Property of 1-Tridecanoyl-sn-glycero-3-phosphocholine

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 21
• Exact Mass: 453.28553974
• Heavy Atom Count: 30
• Complexity: 474

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
• Isomeric SMILES: CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O

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