Cas no 34294-15-0 (D-Glucitol,hexa-(9Z)-9-octadecenoate (9CI))

D-Glucitol,hexa-(9Z)-9-octadecenoate (9CI) structure
34294-15-0 structure
Product Name:D-Glucitol,hexa-(9Z)-9-octadecenoate (9CI)
CAS No:34294-15-0
MF:C114H206O12
MW:1768.84827852249
CID:305912
PubChem ID:75124258
Update Time:2025-04-19

D-Glucitol,hexa-(9Z)-9-octadecenoate (9CI) Chemical and Physical Properties

Names and Identifiers

    • D-Glucitol,hexa-(9Z)-9-octadecenoate (9CI)
    • [(1R,2R,3R,4S)-2,3,4,5-tetrakis[[(Z)-octadec-9-enoyl]oxy]-1-[[(Z)-octadec-9-enoyl]oxymethyl]pentyl] (Z)-octadec-9-enoate
    • D-Glucitol hexaoleate
    • NS00059687
    • Sorbitol Hexaoleate
    • 34294-15-0
    • EINECS 251-922-7
    • DTXSID601315765
    • Inchi： 1S/C114H206O12/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-107(115)121-103-105(123-109(117)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)113(125-111(119)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)114(126-112(120)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)106(124-110(118)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)104-122-108(116)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h49-60,105-106,113-114H,7-48,61-104H2,1-6H3/b55-49-,56-50-,57-51-,58-52-,59-53-,60-54-/t105-,106+,113-,114-/m1/s1
    • InChI Key： RKZXQQPEDGMHBJ-LIGJGSPWSA-N
    • SMILES： O(C(CCCCCCC/C=C\CCCCCCCC)=O)[C@H]([C@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)[C@@H]([C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCCC/C=C\CCCCCCCC)=O

Computed Properties

  • Exact Mass: 639.31826
  • Monoisotopic Mass: 639.31826
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 8
  • Complexity: 1150
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 3
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 150
  • XLogP3: 44.7

Experimental Properties

  • Density: 0.933
  • Boiling Point: 1250.2°Cat760mmHg
  • Flash Point: 382.6°C
  • Refractive Index: 1.483

D-Glucitol,hexa-(9Z)-9-octadecenoate (9CI) Related Literature

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