Cas no 104585-73-1 (3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI))

3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI) structure
104585-73-1 structure
Product Name:3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI)
CAS No:104585-73-1
MF:C27H54NO8P
MW:551.693330287933
CID:126292
PubChem ID:24778789
Update Time:2025-04-18

3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI)
    • 3,5,9-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM, 7-(ACETYLOXY)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-, INNER SALT, 4-OXIDE, (R)- (9
    • 3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inn...
    • 3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(R)-(9]
    • 3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,4-oxide,(R)-(9
    • 3,5,9-Trioxa-4-phosphahexacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-
    • PC(17:0/2:0)
    • 3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-,innersalt,
    • 104585-73-1
    • 1-heptadecanoyl-2-acetyl-sn-glycero-3-phosphocholine
    • [(2R)-2-acetyloxy-3-heptadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • LMGP01010714
    • Inchi： 1S/C27H54NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-26(36-25(2)29)24-35-37(31,32)34-22-21-28(3,4)5/h26H,6-24H2,1-5H3/t26-/m1/s1
    • InChI Key： LWDJUBRBHIVQQB-AREMUKBSSA-N
    • SMILES： P(=O)([O-])(OC[C@@H](COC(CCCCCCCCCCCCCCCC)=O)OC(C)=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 551.35870468g/mol
  • Monoisotopic Mass: 551.35870468g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 27
  • Complexity: 630
  • 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: 6.7
  • Topological Polar Surface Area: 111?2

3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI) Related Literature

104585-73-1 (3,5,9-Trioxa-4-phosphahexacosan-1-aminium,7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (R)-(9CI)) Related Products

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