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Substance Name: 1,2-Bis(15-oxapentacosa-10,12-diynoyl)-sn-phosphocholine
RN: 148077-85-4
InChIKey: XQBMMXSSETXKPX-AXAMJWTMSA-N

Note

  • Used to study conformation of diacetylene phospholipids in lipid bilayer.

Molecular Formula

  • C56-H96-N-O10-P

Molecular Weight

  • 974.3454
 
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Names and Synonyms

Name of Substance

  • 1,2-Bis(15-oxapentacosa-10,12-diynoyl)-sn-phosphocholine

Synonym

  • 1,2-Bis(opdyn)-PC

Systematic Name

  • 3,5,9,24-Tetraoxa-4-phosphatetetratriaconta-19,21-diyn-1-aminium, 7-((14-(decyloxy)-1-oxo-10,12-tetradecadiynyl)oxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-

Registry Numbers

CAS Registry Number

  • 148077-85-4

System Generated Number

  • 0148077854

Structure Descriptors

InChI

1S/C56H96NO10P/c1-6-8-10-12-14-28-34-40-47-62-49-42-36-30-24-20-16-18-22-26-32-38-44-55(58)64-52-54(53-66-68(60,61)65-51-46-57(3,4)5)67-56(59)45-39-33-27-23-19-17-21-25-31-37-43-50-63-48-41-35-29-15-13-11-9-7-2/h54H,6-23,26-29,32-35,38-41,44-53H2,1-5H3/t54-/m1/s1

InChIKey

XQBMMXSSETXKPX-AXAMJWTMSA-N

Smiles

CCCCCCCCCCOCC#CC#CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC#CC#CCOCCCCCCCCCC