3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide

CAS Registry Number®

59540-22-6

CAS Name

3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide

Molecular Formula

C40H80NO8P

Cite this Page

3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59540-22-6 (retrieved 2024-11-21) (CAS RN: 59540-22-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(49-50(44,45)48-35-34-41(3,4)5)37-47-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-37H2,1-5H3

InChIKey

InChIKey=CYFBGSYWHRQAIT-UHFFFAOYSA-N

SMILES

C(OP(OCC[N+](C)(C)C)(=O)[O-])(COC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O

Canonical SMILES

O=C(OCC(OP(=O)([O-])OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

Other Names for this Substance

  • 3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-, inner salt, 4-oxide
  • 3,5,8-Trioxa-4-phosphatetracosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-9-oxo-6-[[(1-oxohexadecyl)oxy]methyl]-, hydroxide, inner salt, 4-oxide
  • β-Dipalmitoyllecithin
  • 1,3-Dipalmitoylphosphatidylcholine
  • 1,3-DPPC

Deleted or Replaced CAS Registry Numbers

118138-66-2, 67023-41-0, 94513-35-6