Cas no 78858-42-1 (3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI))

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI) structure
78858-42-1 structure
Product Name:3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI)
CAS No:78858-42-1
MF:C26H56NO6P
MW:509.699709892273
CID:553590
PubChem ID:24779410
Update Time:2025-04-19

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI)
    • [(2R)-2-ethoxy-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • 1-O-HEXADECYL-2-O-ETHYL-SN-GLYCERO-3-PHOSPHORYLCHOLINE
    • 2-O-ethyl PAF C-16
    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-...
    • 1-hexadecyl-2-ethyl-sn-glycero-3-phosphocholine
    • 1-O-Hexadecyl-2-O-ethyl-sn-glycero-3-phosphocholine
    • 2-O-ethyl-PAF
    • CHEBI:189814
    • HMS3649A05
    • 1-O-hexadecyl-2-O-ethyl-sn-glyceryl-3-phosphorylcholine
    • 78858-42-1
    • SCHEMBL5493880
    • CHEMBL81997
    • (2R)-2-Ethoxy-3-(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
    • DTXSID80647290
    • PD020908
    • (R)-2-ethoxy-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    • CS-0138064
    • (R)-2-Ethoxy-3-(hexadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
    • HY-134101
    • Inchi： 1S/C26H56NO6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-24-26(31-7-2)25-33-34(28,29)32-23-21-27(3,4)5/h26H,6-25H2,1-5H3/t26-/m1/s1
    • InChI Key： LPHUUVMLQFHHQG-AREMUKBSSA-N
    • SMILES： P(=O)([O-])(OC[C@@H](COCCCCCCCCCCCCCCCC)OCC)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 509.38500
  • Monoisotopic Mass: 509.38452550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 26
  • Complexity: 478
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.8
  • Topological Polar Surface Area: 77?2

Experimental Properties

  • PSA: 86.86000
  • LogP: 7.16740

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI) Pricemore >>

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3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-ethoxy-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide, (R)- (9CI) Related Literature

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