1-Heptanoyl-sn-glycero-3-phosphocholine

Base Information

• Chemical Name: 1-Heptanoyl-sn-glycero-3-phosphocholine
• CAS No.: 160118-49-0
• Molecular Formula: C15H32NO7P
• Molecular Weight: 369.39
• ChEMBL ID: CHEMBL467486
• Metabolomics Workbench ID: 15019
• Mol file: 160118-49-0.mol

Synonyms:1-heptanoyl-sn-glycero-3-phosphocholine;160118-49-0;[(2R)-3-heptanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate;PC(7:0/0:0);CHEMBL467486;CHEBI:183136;LMGP01050064;07:0 Lyso PC, 1-heptanoyl-2-hydroxy-sn-glycero-3-phosphocholine, powder;3,5,9-Trioxa-4-phosphahexadecan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-;3,5,9-Trioxa-4-phosphahexadecan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-;3,5,9-Trioxa-4-phosphahexadecan-1-aminium,4,7-dihydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(7R)-

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

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 15
• Exact Mass: 369.19163936
• Heavy Atom Count: 24
• Complexity: 390

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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

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