Cas no 144000-46-4 (3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI))

3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI) structure
144000-46-4 structure
Product Name:3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI)
CAS No:144000-46-4
MF:C20H43N2O5PS
MW:454.604585886002
CID:212793
PubChem ID:10411664
Update Time:2025-04-19

3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI)
    • [(2S)-2-(hexanoylamino)-3-hexylsulfanylpropyl] 2-(trimethylazaniumyl)ethyl phosphate
    • 3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9
    • 3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]...
    • 1-(Hexylthio)-2-(hexanoylamino)-1,2-dideoxy-sn-glycero-3-phosphocholine
    • 3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-7-((1-oxohexyl)amino)-, hydroxide, inner salt, 4-oxide, (S)-
    • Thioether amide PC
    • 144000-46-4
    • 3-(Hexylsulfanyl)-2-[(1-hydroxyhexylidene)amino]propyl 2-(trimethylazaniumyl)ethyl phosphate
    • DTXSID90932184
    • 1-palmitylthio-2-palmitoylamino-1,2-dideoxy-sn-glycero-3-phosphorylcholine
    • Inchi： 1S/C20H43N2O5PS/c1-6-8-10-12-16-29-18-19(21-20(23)13-11-9-7-2)17-27-28(24,25)26-15-14-22(3,4)5/h19H,6-18H2,1-5H3,(H-,21,23,24,25)/t19-/m0/s1
    • InChI Key： DJRPCPXTLALALA-IBGZPJMESA-N
    • SMILES： S(CCCCCC)C[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(CCCCC)=O

Computed Properties

  • Exact Mass: 454.26303065g/mol
  • Monoisotopic Mass: 454.26303065g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 19
  • Complexity: 466
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 3.2
  • Topological Polar Surface Area: 113?2

Experimental Properties

  • PSA: 126.29000
  • LogP: 5.48330

3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI) Related Literature

144000-46-4 (3,5-Dioxa-9-thia-4-phosphapentadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-7-[(1-oxohexyl)amino]-, inner salt, 4-oxide, (7S)-(9CI)) Related Products

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