3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexyl)oxy]-, inner salt, 4-oxide, (7R)-

CAS Registry Number®

77444-40-7

CAS Name

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexyl)oxy]-, inner salt, 4-oxide, (7R)-

Molecular Formula

C30H60NO8P

Cite this Page

3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexyl)oxy]-, inner salt, 4-oxide, (7R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77444-40-7 (retrieved 2024-11-22) (CAS RN: 77444-40-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H60NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-22-29(32)36-26-28(39-30(33)23-20-9-7-2)27-38-40(34,35)37-25-24-31(3,4)5/h28H,6-27H2,1-5H3/t28-/m1/s1

InChIKey

InChIKey=RBJYEKYJPBLOJX-MUUNZHRXSA-N

SMILES

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

Canonical SMILES

O=C(OCC(OC(=O)CCCCC)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-10-oxo-7-[(1-oxohexyl)oxy]-, inner salt, 4-oxide, (7R)-
  • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxohexyl)oxy]-, inner salt, 4-oxide, (R)-
  • 1-Palmitoyl-2-caproyl-sn-glycero-3-phosphorylcholine

Deleted or Replaced CAS Registry Numbers

165559-88-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration