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Substance Name: 2,3-Di-O-phytanyl-sn-glycero-1-phosphocholine
RN: 103067-81-8
InChIKey: NMRGXROOSPKRTL-ZUIQINDNSA-N

Note

  • Phospholipid vehicle.

Molecular Formula

  • C48-H100-N-O6-P

Molecular Weight

  • 818.293
 
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Names and Synonyms

Name of Substance

  • 2,3-Di-O-phytanyl-sn-glycero-1-phosphocholine

Synonyms

  • 2,3-Di-O-phytanylphosphatidylcholine
  • 2,3-Dphpc
  • 4-Hydroxy-N,N,N,12,16,20,24-heptamethyl-7-((3,7,11,15-tetramethylhexadecyl)oxy)-3,5,9-trioxa-4-phosphapentacosan-1-aminium hydroxide, inner salt, 4-oxide, (7S-(7R*(3S*,7S*,11S*),12S*,16S*,20S*))-

Systematic Name

  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N,12,16,20,24-heptamethyl-7-((3,7,11,15-tetramethylhexadecyl)oxy)-, hydroxide, inner salt, 4-oxide, (7S-(7R*(3S*,7S*,11S*),12S*,16S*,20S*))-

Registry Numbers

CAS Registry Number

  • 103067-81-8

System Generated Number

  • 0103067818

Structure Descriptors

InChI

InChI=1S/C48H100NO6P/c1-40(2)20-14-22-42(5)24-16-26-44(7)28-18-30-46(9)32-35-52-38-48(39-55-56(50,51)54-37-34-49(11,12)13)53-36-33-47(10)31-19-29-45(8)27-17-25-43(6)23-15-21-41(3)4/h40-48H,14-39H2,1-13H3/t42-,43-,44-,45?,46-,47-,48+/m1/s1

InChIKey

NMRGXROOSPKRTL-ZUIQINDNSA-N

Smiles

CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)OCC[C@H](C)CCCC(C)CCC[C@H](C)CCCC(C)C