Cas no 69176-47-2 (1,2-dipalmitoyl-3-o-benzyl-rac-glycerol)

1,2-dipalmitoyl-3-o-benzyl-rac-glycerol structure
69176-47-2 structure
Product Name:1,2-dipalmitoyl-3-o-benzyl-rac-glycerol
CAS No:69176-47-2
MF:C42H74O5
MW:659.033974170685
CID:973199
PubChem ID:4231389
Update Time:2025-04-19

1,2-dipalmitoyl-3-o-benzyl-rac-glycerol Chemical and Physical Properties

Names and Identifiers

    • 1,2-dipalmitoyl-3-o-benzyl-rac-glycerol
    • (2-hexadecanoyloxy-3-phenylmethoxypropyl) hexadecanoate
    • 1,2-di-O-palmitoyl-3-O-benzyl-rac-glycerol
    • 3-O-Benzyl-1,2-di-O-palmitoylglycerol
    • 3-O-benzyl-1,2-di-O-palmitoyl-rac-glycerol
    • 3-O-benzyl-1,2-dipalmitoylglycerol
    • D-5920
    • D-5925
    • dipalmitoyl benzyl glycerol
    • 3-(Benzyloxy)propane-1,2-diyl dipalmitate
    • SCHEMBL1101589
    • 69176-47-2
    • (+/-)-Hexadecanoic Acid 1-[(Phenylmethoxy)methyl]-1,2-ethanediyl Ester
    • Hexadecanoic Acid 1-[(Phenylmethoxy)methyl]-1,2-ethanediyl Ester
    • 3-O-benzyl-1,2-dipalmitoyl-rac-glycerol
    • FT-0641226
    • DTXSID20401070
    • AKOS027378581
    • DB-055234
    • 1-(benzyloxy)-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
    • 1,2-Dipalmitoyl-3-O-benzyl-sn-glycerol
    • Inchi: 1S/C42H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-41(43)46-38-40(37-45-36-39-32-28-27-29-33-39)47-42(44)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-29,32-33,40H,3-26,30-31,34-38H2,1-2H3
    • InChI Key: KFTQBNLTYMNTFX-UHFFFAOYSA-N
    • SMILES: O(C(COCC1C=CC=CC=1)COC(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 658.55400
  • Monoisotopic Mass: 658.554
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 37
  • Complexity: 674
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 61.8A^2
  • XLogP3: 16.1

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Melting Point: 43-46°C
  • Boiling Point: 691.2±45.0 °C at 760 mmHg
  • Flash Point: 272.0±28.8 °C
  • Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
  • PSA: 61.83000
  • LogP: 12.62080
  • Vapor Pressure: 0.0±2.2 mmHg at 25°C

1,2-dipalmitoyl-3-o-benzyl-rac-glycerol Security Information

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