Cas no 71850-75-4 (Phosphonic acid,dieicosyl ester)

Phosphonic acid,dieicosyl ester structure
71850-75-4 structure
Product Name:Phosphonic acid,dieicosyl ester
CAS No:71850-75-4
MF:C40H82O3P
MW:642.051054477692
CID:567509
PubChem ID:6367253
Update Time:2025-04-19

Phosphonic acid,dieicosyl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,dieicosyl ester
    • diicosyl phosphite
    • 71850-75-4
    • DTXSID90888016
    • Phosphonic acid, dieicosyl ester
    • Dieicosyl phosphite
    • Di(eicosanyl) phosphite
    • Inchi: 1S/C40H82O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-44(41)43-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3/q+1
    • InChI Key: CIBKDFOCUKQUGT-UHFFFAOYSA-N
    • SMILES: [P+](=O)(OCCCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 641.60056
  • Monoisotopic Mass: 641.60015847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 40
  • Complexity: 483
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 19.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
  • LogP: 15.76040
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