Cas no 136655-51-1 (myo-Inositol,1-[2,3-bis[(1-oxotetradecyl)oxy]propyl hydrogen phosphate])

myo-Inositol,1-[2,3-bis[(1-oxotetradecyl)oxy]propyl hydrogen phosphate] structure
136655-51-1 structure
Product Name:myo-Inositol,1-[2,3-bis[(1-oxotetradecyl)oxy]propyl hydrogen phosphate]
CAS No:136655-51-1
MF:C37H71O13P
MW:754.925614595413
CID:141465
PubChem ID:131979
Update Time:2025-04-19

myo-Inositol,1-[2,3-bis[(1-oxotetradecyl)oxy]propyl hydrogen phosphate] Chemical and Physical Properties

Names and Identifiers

    • myo-Inositol,1-[2,3-bis[(1-oxotetradecyl)oxy]propyl hydrogen phosphate]
    • [3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
    • dimyristoylphosphatidylinositol
    • 1-(2,3-Bis((1-oxotetradecyl)oxy)propyl hydrogen phosphate) myo-inositol
    • 3-[(hydroxy{[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl ditetradecanoate
    • DMPI
    • myo-Inositol, 1-(2,3-bis((1-oxotetradecyl)oxy)propyl hydrogen phosphate)
    • [3-[hydroxy-[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate
    • 3-({Hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)propane-1,2-diyl ditetradecanoate
    • 136655-51-1
    • DTXSID20929507
    • Inchi： 1S/C37H71O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(38)47-27-29(49-31(39)26-24-22-20-18-16-14-12-10-8-6-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h29,32-37,40-44H,3-28H2,1-2H3,(H,45,46)/t29?,32?,33-,34+,35-,36-,37?/m0/s1
    • InChI Key： LYBDVVBIMGTZMB-HVIJGSDCSA-N
    • SMILES： P(=O)(O)(OCC(COC(CCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCC)=O)OC1[C@H]([C@@H](C([C@@H]([C@@H]1O)O)O)O)O

Computed Properties

  • Exact Mass: 754.46322931g/mol
  • Monoisotopic Mass: 754.46322931g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 51
  • Rotatable Bond Count: 34
  • Complexity: 922
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.1
  • Topological Polar Surface Area: 210?2

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