(7R)-4-Hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide

CAS Registry Number®

88587-94-4

CAS Name

(7R)-4-Hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide

Molecular Formula

C40H82NO7P

Cite this Page

(7R)-4-Hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88587-94-4 (retrieved 2025-02-19) (CAS RN: 88587-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/t39-/m1/s1

InChIKey

InChIKey=WOTHHEHCEYHCFE-LDLOPFEMSA-N

SMILES

[C@H](OC(CCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)(=O)[O-])COCCCCCCCCCCCCCCCC

Canonical SMILES

O=C(OC(COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC

Other Names for this Substance

  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (7R)-
  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-, inner salt, 4-oxide, (R)-
  • (7R)-4-Hydroxy-N,N,N-trimethyl-7-[(1-oxohexadecyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide
  • Phosphatidylcholine (O-32:0)
  • PC(O-32:0)

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CAS INSIGHTSTM
Lithium-ion battery