Cas no 69483-37-0 (3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide)

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide structure
69483-37-0 structure
Product Name:3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
CAS No:69483-37-0
MF:C40H84NO6P
MW:706.071834564209
CID:521694
PubChem ID:118294
Update Time:2025-04-19

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide Chemical and Physical Properties

Names and Identifiers

    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide
    • 1,2-O-DIHEXADECYL-RAC-GLYCERO-3-PHOSPHOCHOLINE
    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner ...
    • (+-)-[(7-hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl]trimethylammonium 4-oxide
    • 1,2-di-O-hexadecyl-3-O-<<2-(trimethylamino)ethyl>phosphoryl>-rac-glycerol
    • 1,2-DI-O-HEXADECYL-RAC-GLYCERO-3-PHOSPHOCHOLINE
    • 1,2-di-O-hexadecyl-rac-glycero-3-phosphonocholine
    • 1,2-O,O-DIHEXAD
    • 1-O-(Cholinephosphoryl)-2,3-di-O-hexadecylglycerol
    • DL-A-PHOSPHATIDYLCHOLINE,DI-O-*HEXADECY L
    • DL-b,g-Dihexadecyl-a-lecithin
    • RAC-PHOSPHATIDYLCHOLINE,1,2-DIHEXADECYL
    • D-3230
    • 1,2-O,O'-dihexadecyl-rac-glycero-3phosphocholine
    • EINECS 274-018-4
    • PD086611
    • 3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, hydroxide, inner salt, 4-oxide, (R)-
    • 69483-37-0
    • SCHEMBL2733343
    • 2,3-Bis(hexadecyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
    • 2,3-bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate
    • D-3235
    • (R)-(7-(Hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl)trimethylammonium 4-oxide
    • NSC-606171
    • (1)-((7-(Hexadecyloxy)-4-oxido-3,5,9-trioxa-4-phosphapentacosyl))trimethylammonium 4-oxide
    • sn-3-dihexadecyl-phosphatidylcholine
    • NSC606171
    • FT-0732448
    • 1,2-Dihexadecyl-rac-glycero-3-phosphocholine
    • 2,3-dihexadecoxypropyl 2-(trimethylazaniumyl)ethyl phosphate
    • CHEMBL1973829
    • 36314-47-3
    • EINECS 252-968-0
    • 2,3-bis(hexadecyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
    • DTXSID10957677
    • MWTIGLPPQBNUFP-UHFFFAOYSA-N
    • DCPC;L-beta,gamma-Dihexadecyl-alpha-lecithin
    • Inchi： 1S/C40H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-44-38-40(39-47-48(42,43)46-37-34-41(3,4)5)45-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3
    • InChI Key： MWTIGLPPQBNUFP-UHFFFAOYSA-N
    • SMILES： P(=O)([O-])(OCC(COCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 705.60400
  • Monoisotopic Mass: 705.60362640g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 40
  • Complexity: 681
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 14.2
  • Topological Polar Surface Area: 77?2

Experimental Properties

  • PSA: 86.86000
  • LogP: 12.62880

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide Security Information

  • WGK Germany：3
  • FLUKA BRAND F CODES：10-21
  • Storage Condition：?20°C

3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide Related Literature

69483-37-0 (3,5,9-Trioxa-4-phosphapentacosan-1-aminium,7-(hexadecyloxy)-4-hydroxy-N,N,N-trimethyl-, inner salt, 4-oxide) Related Products

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