Cas no 93963-95-2 (Sorbitan, tris(12-hydroxyoctadecanoate))

Sorbitan, tris(12-hydroxyoctadecanoate) structure
93963-95-2 structure
Product Name:Sorbitan, tris(12-hydroxyoctadecanoate)
CAS No:93963-95-2
MF:C60H114O11
MW:1011.54058122635
CID:806318
PubChem ID:44147611
Update Time:2025-04-19

Sorbitan, tris(12-hydroxyoctadecanoate) Chemical and Physical Properties

Names and Identifiers

    • Sorbitan, tris(12-hydroxyoctadecanoate)
    • [(3S,4R,5R)-5-[(1R)-2-hydroxy-1-(12-hydroxyoctadecanoyloxy)ethyl]-4-(12-hydroxyoctadecanoyloxy)oxolan-3-yl] 12-hydroxyoctadecanoate
    • EINECS 300-841-6
    • DTXSID10239980
    • NS00039807
    • Sorbitan,tris(12-hydroxyoctadecanoate)
    • 93963-95-2
    • Inchi： 1S/C60H114O11/c1-4-7-10-31-40-51(62)43-34-25-19-13-16-22-28-37-46-56(65)69-54(49-61)59-60(71-58(67)48-39-30-24-18-15-21-27-36-45-53(64)42-33-12-9-6-3)55(50-68-59)70-57(66)47-38-29-23-17-14-20-26-35-44-52(63)41-32-11-8-5-2/h51-55,59-64H,4-50H2,1-3H3/t51?,52?,53?,54-,55+,59-,60-/m1/s1
    • InChI Key： NVIBSPDSEWSWGY-RWWAATTFSA-N
    • SMILES： O1C[C@@H]([C@H]([C@H]1[C@@H](CO)OC(CCCCCCCCCCC(CCCCCC)O)=O)OC(CCCCCCCCCCC(CCCCCC)O)=O)OC(CCCCCCCCCCC(CCCCCC)O)=O

Computed Properties

  • Exact Mass: 1010.83611445g/mol
  • Monoisotopic Mass: 1010.83611445g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 71
  • Rotatable Bond Count: 56
  • Complexity: 1200
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 18.6
  • Topological Polar Surface Area: 169?2

Sorbitan, tris(12-hydroxyoctadecanoate) Related Literature

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