Cas no 61168-05-6 (Phosphonium, (4-carboxybutyl)triphenyl-, iodide)

Phosphonium, (4-carboxybutyl)triphenyl-, iodide structure
61168-05-6 structure
Product Name:Phosphonium, (4-carboxybutyl)triphenyl-, iodide
CAS No:61168-05-6
MF:C23H24IO2P
MW:490.31369972229
CID:489947
PubChem ID:22753434
Update Time:2025-04-19

Phosphonium, (4-carboxybutyl)triphenyl-, iodide Chemical and Physical Properties

Names and Identifiers

    • Phosphonium, (4-carboxybutyl)triphenyl-, iodide
    • 4-carboxybutyl(triphenyl)phosphanium,iodide
    • DTXSID80628084
    • 61168-05-6
    • SCHEMBL11518520
    • (4-Carboxybutyl)(triphenyl)phosphanium iodide
    • Inchi: 1S/C23H23O2P.HI/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
    • InChI Key: JTOVUSHXISGDFP-UHFFFAOYSA-N
    • SMILES: [I-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)CCCCC(=O)O

Computed Properties

  • Exact Mass: 465.8676
  • Monoisotopic Mass: 490.05586g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 8
  • Complexity: 372
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 36.97
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