Cas no 89019-63-6 (1,2-bis(Heptanoylthio)glycerophosphocholine (in Ethanol) (~90%))

1,2-bis(Heptanoylthio)glycerophosphocholine (in Ethanol) (~90%) structure
89019-63-6 structure
Product Name:1,2-bis(Heptanoylthio)glycerophosphocholine (in Ethanol) (~90%)
CAS No:89019-63-6
MF:C22H44NO6PS2
MW:513.691625595093
MDL:MFCD00797667
CID:710741
PubChem ID:57369907
Update Time:2024-10-26

1,2-bis(Heptanoylthio)glycerophosphocholine (in Ethanol) (~90%) Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dioxa-9-thia-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)thio]-, inner salt, 4-oxide,(7S)-
    • [(2S)-2,3-bis(heptanoylsulfanyl)propyl] 2-(trimethylazaniumyl)ethyl phosphate
    • 1,2-bis(heptanoylthio) Glycerophosphocholine
    • 3,5-Dioxa-9-thia-4-phosphahexadecan-1-aminium,4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)thio]-, inner salt, 4-oxide,(7
    • 3,5-Dioxa-9-thia-4-phosphahexadecan-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)thio]-, inner salt, 4-oxide, (S)- (9CI)
    • 89019-63-6
    • AKOS040755638
    • (S)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxoheptyl)thio]-3,5-dioxa-9-thia-4-phosphahexadecan-1-aminium
    • 1,2-bis(Heptanoylthio)glycerophosphocholine
    • LFFIJRJGKBSELO-FQEVSTJZSA-N
    • 1,2-Bis(heptanoylthio)-1,2-dideoxy-sn-glycero-3-phosphorylcholine
    • DTXSID20724579
    • (2S)-2,3-Bis(heptanoylsulfanyl)propyl 2-(trimethylazaniumyl)ethyl phosphate
    • PD020890
    • HMS3649C19
    • 1,2-bis(Heptanoylthio)glycerophosphocholine (in Ethanol) (~90%)
    • MDL: MFCD00797667
    • Inchi: 1S/C22H44NO6PS2/c1-6-8-10-12-14-21(24)31-19-20(32-22(25)15-13-11-9-7-2)18-29-30(26,27)28-17-16-23(3,4)5/h20H,6-19H2,1-5H3/t20-/m0/s1
    • InChI Key: LFFIJRJGKBSELO-FQEVSTJZSA-N
    • SMILES: [C@@H](SC(=O)CCCCCC)(CSC(=O)CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C

Computed Properties

  • Exact Mass: 513.23500
  • Monoisotopic Mass: 513.23476747g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 22
  • Complexity: 563
  • 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: nothing
  • XLogP3: 4.8
  • Topological Polar Surface Area: 143?2

Experimental Properties

  • Color/Form: Not available
  • PSA: 153.14000
  • LogP: 6.09340
  • Solubility: Not available

1,2-bis(Heptanoylthio)glycerophosphocholine (in Ethanol) (~90%) Pricemore >>

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