Cas no 156925-83-6 (D-chiro-Inositol,2-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate], (R)- (9CI))

D-chiro-Inositol,2-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate], (R)- (9CI) structure
156925-83-6 structure
Product Name:D-chiro-Inositol,2-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate], (R)- (9CI)
CAS No:156925-83-6
MF:C41H79O13P
MW:811.031935930252
CID:155433
PubChem ID:190859
Update Time:2025-04-19

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

Names and Identifiers

    • D-chiro-Inositol,2-[2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate], (R)- (9CI)
    • (2R)-3-[(hydroxy{[(2S,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate
    • 1D-2-O-(1,2-O-Dipalmitoyl-sn-glycero-3-phospho)-chiro-inositol
    • 1D-Chiro-gpi
    • 1D-Chiro-PI
    • 1L-2-O-(1,2-O-Dipalmitoyl-sn-glycero-3-phospho)-chiro-inositol
    • 1L-Chiro-gpi
    • 1L-Chiro-PI
    • 2-O-(1,2-O-Dipalmitoyl-sn-glycero-3-phospho)inositol
    • (2R)-3-((Hydroxy(((1S,2S,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl)oxy)phosphoryl)oxy)propane-1,2-diyl dipalmitate
    • DTXSID70935572
    • 156925-83-6
    • [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
    • 3-({Hydroxy[(2,3,4,5,6-pentahydroxycyclohexyl)oxy]phosphoryl}oxy)propane-1,2-diyl dihexadecanoate
    • Inchi： 1S/C41H79O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50)/t33-,36?,37-,38-,39+,40+,41?/m1/s1
    • InChI Key： IBUKXRINTKQBRQ-JGFNFWMDSA-N
    • SMILES： P(=O)(O)(OC[C@@H](COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCCCCCCCCC)=O)OC1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O

Computed Properties

  • Exact Mass: 810.526
  • Monoisotopic Mass: 810.526
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 38
  • Complexity: 985
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 10.2
  • Topological Polar Surface Area: 210?2

Experimental Properties

  • Density: 1.14
  • Boiling Point: 831.4°Cat760mmHg
  • Flash Point: 456.6°C
  • Refractive Index: 1.514

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