1,2-dioleoyloxy-3-(trimethylammonium)propane

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 79
Total Number of Articles : 67
PubChem 6437371
Molecular Formula

C42H80NO4+

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C42H80NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39-40(38-43(3,4)5)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,40H,6-19,24-39H2,1-5H3/q+1/b22-20-,23-21-

synonyms
  • DOTAP
  • 113669-21-9
  • 1,2-Dioleoyloxy-3-(trimethylammonium)propane
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Properties
Property Value
MW 663.1 g/mol
HBD 0
HBA 4
Rotatable Bond Count 37
Exact Mass 662.60873503 g/mol
Monoisotopic Mass 662.60873503 g/mol
Heavy Atom Count 47
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 754
xlogp 15.1
Topological Polar Surface Area 52.6