Cas no 91021-63-5 (Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-,inner salt)

Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-,inner salt structure
91021-63-5 structure
Product Name:Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-,inner salt
CAS No:91021-63-5
MF:C28H56NO7P
MW:549.720510482788
CID:799117
PubChem ID:57545133
Update Time:2025-04-19

Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-,inner salt Chemical and Physical Properties

Names and Identifiers

    • Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-,inner salt
    • [(2R)-1-hexadecoxy-3-[hydroxy-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]phosphoryl]oxypropan-2-yl] acetate
    • 1-O-HEXADECYL-2-O-ACETYL-SN-GLYCERYL-3-PHOSPHORYL-N-METHYL-PYRROLIDINIUM ETHANOL
    • Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-m...
    • Pyrrolidino PAF C-16
    • CHEBI:191130
    • HMS3648P14
    • Pyrrolidinium, 1-[(7r)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-, inner salt
    • 91021-63-5
    • 1-(2-{[(2R)-2-(Acetyloxy)-3-(hexadecyloxy)propyl phosphonato]oxy}ethyl)-1-methylpyrrolidin-1-ium
    • [(2R)-2-acetyloxy-3-hexadecoxypropyl] 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl phosphate
    • DB-222721
    • (2R)-2-acetoxy-3-(hexadecyloxy)propyl 2-(1-methyl-1-pyrrolidiniumyl)ethyl phosphate
    • Inchi: 1S/C28H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-33-25-28(36-27(2)30)26-35-37(31,32)34-24-22-29(3)20-17-18-21-29/h28H,4-26H2,1-3H3/t28-/m1/s1
    • InChI Key: QBLLCUIJMABRFJ-MUUNZHRXSA-N
    • SMILES: P(=O)([O-])(OC[C@@H](COCCCCCCCCCCCCCCCC)OC(C)=O)OCC[N+]1(C)CCCC1

Computed Properties

  • Exact Mass: 549.37900
  • Monoisotopic Mass: 549.37944012g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 26
  • Complexity: 605
  • 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
  • Topological Polar Surface Area: 94.1?2

Experimental Properties

  • PSA: 103.93000
  • LogP: 7.18700

Pyrrolidinium,1-[(7R)-7-(acetyloxy)-4-hydroxy-4-oxido-3,5,9-trioxa-4-phosphapentacos-1-yl]-1-methyl-,inner salt Pricemore >>

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