Cas no 165689-81-6 (D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI))

D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI) structure
165689-81-6 structure
Product Name:D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI)
CAS No:165689-81-6
MF:C41H80O16P2
MW:891.011837005615
CID:158926
PubChem ID:643964
Update Time:2025-04-19

D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI)
    • (2R)-3-[(hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate
    • [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
    • D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenpho...
    • PI(3)P-NA+, DI C16
    • Cmc_9578
    • Cmc_6572
    • Dipalmitoylphosphoinositol
    • D-Myo-phosphatidylinositol 3-phosphate (ptdins(3)p)
    • Hexadecanoic acid, 1-[[[hydroxy[[2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy]
    • (Phosphonooxy)cyclohexyl]oxy]phosphinyl]oxy]-1-[[(1-oxohexadecyl)oxy]methyl]ethyl ester
    • D-myo-Inositol, 1-(2R)-2,3-bis(1-oxohexadecyl)oxypropyl hydrogen phosphate 3-(dihydrogen phosphate)
    • (R)-2-Hexadecanoyloxy-3-[hydroxy-((1S,2R,3R,4S,5S,6R)-2,4,5,6-tetrahydroxy-3-
    • Hexadecanoic acid, (1R)-2-[[hydroxy[[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-
    • D-Myo-inositol, 1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) (9ci)
    • 165689-81-6
    • CHEBI:82963
    • PIP[3'](16:0/16:0)
    • L-alpha-Phosphatidyl-D-myo-inositol 3-monophosphate, dipalmitoyl
    • DTXSID20349241
    • PtdIns(3)P
    • PI(3)P
    • Phosphatidyl (3) inositol monophosphate
    • Q27156501
    • L- alpha -Phosphatidyl-D-myo-inositol 3-monophosphate, dipalmitoyl
    • 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)
    • phosphatidylinositol-3-monophosphate
    • 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)
    • R-1-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogen phosphate) D-myo-inositol
    • PD007451
    • SZPQTEWIRPXBTC-KFOWTEFUSA-N
    • (2R)-3-((Hydroxy(((1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl)oxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate
    • Inchi： 1S/C41H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h33,36-41,44-47H,3-32H2,1-2H3,(H,51,52)(H2,48,49,50)/t33-,36+,37+,38-,39-,40-,41+/m1/s1
    • InChI Key： SZPQTEWIRPXBTC-KFOWTEFUSA-N
    • SMILES： P(=O)(O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O

Computed Properties

  • Exact Mass: 890.49216
  • Monoisotopic Mass: 890.49216
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 16
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 40
  • Complexity: 1170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 256
  • XLogP3: 9.1

Experimental Properties

  • Density: 1.21
  • Boiling Point: 921.1°Cat760mmHg
  • Flash Point: 510.9°C
  • Refractive Index: 1.518
  • PSA: 275.66000
  • LogP: 7.84130

D-myo-Inositol,1-[(2R)-2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate] 3-(dihydrogenphosphate) (9CI) Pricemore >>

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