Cas no 137566-83-7 (7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)-)

7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)- structure
137566-83-7 structure
Product Name:7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)-
CAS No:137566-83-7
MF:C30H62NO7P
MW:579.789551258087
CID:162028
PubChem ID:132080
Update Time:2025-04-19

7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)- Chemical and Physical Properties

Names and Identifiers

    • 7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)-
    • [(2R)-2-acetyloxy-3-hexadecoxypropyl] 6-(trimethylazaniumyl)hexyl phosphate
    • 7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner sa...
    • Hexanolamino PAF C-16
    • PLATELET ACTIVATING FACTOR-16, ANTAGONIST
    • Hexanolamine paf
    • (R)-2-acetoxy-3-(hexadecyloxy)propyl 6-(trimethylammonio)hexyl phosphate
    • J-007042
    • 7,9,13-Trioxa-8-phosphanonacosan-1-aminium, 11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 8-oxide, (R)-
    • 137566-83-7
    • DTXSID80160237
    • CHEBI:190956
    • 11-(Acetyloxy)-8-hydroxy-N,N,N-trimethyl-7,9,13-trioxa-8-phosphanonacosan-1-aminium hydroxide, inner salt, 8-oxide, (R)-
    • 1-o-hexadecyl-2-o-acetyl-sn-glyceryl-3-phosphoryl(n,n,n-trimethyl)hexanolamine
    • HMS3648P06
    • 7,9,13-Trioxa-8-phosphanonacosan-1-aminium, 11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)-
    • 1-O-Hexadecyl-2-acetyl-sn-glycero-3-phosphono(N,N,N-trimethyl)hexanolamine
    • HY-132190
    • CS-0169685
    • CAS 99103-16-9
    • PLATELETACTIVATINGFACTOR-16,ANTAGONIST
    • DTXCID1082728
    • Inchi: 1S/C30H62NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-35-27-30(38-29(2)32)28-37-39(33,34)36-26-23-20-18-21-24-31(3,4)5/h30H,6-28H2,1-5H3/t30-/m1/s1
    • InChI Key: IJAODKNFSHBTDQ-SSEXGKCCSA-N
    • SMILES: P(=O)([O-])(OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C)=O)OCCCCCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 579.42600
  • Monoisotopic Mass: 579.42639031g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 30
  • Complexity: 604
  • 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: 7.9
  • Topological Polar Surface Area: 94.1?2

Experimental Properties

  • PSA: 103.93000
  • LogP: 8.25440

7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)- Security Information

  • WGK Germany:3

7,9,13-Trioxa-8-phosphanonacosan-1-aminium,11-(acetyloxy)-8-hydroxy-N,N,N-trimethyl-, inner salt, 8-oxide, (11R)- Pricemore >>

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