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13106-14-4 | 1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2,3-bis[(1-oxooctadecyl)oxy]-, acetate (1:1)
CAS No: 13106-14-4 Catalog No: AG000VGX MDL No:
Product Description
Catalog Number:
AG000VGX
Chemical Name:
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-2,3-bis[(1-oxooctadecyl)oxy]-, acetate (1:1)
CAS Number:
13106-14-4
Molecular Formula:
C45H89NO7
Molecular Weight:
756.1907
IUPAC Name:
2,3-di(octadecanoyloxy)propyl-(2-hydroxyethyl)-dimethylazanium;acetate
InChI:
InChI=1S/C43H86NO5.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-40-41(39-44(3,4)37-38-45)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h41,45H,5-40H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
InChI Key:
DRUSFJBLMPJNIZ-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C.CCCCCCCCCCCCCCCCCC(=O)OCC(C[N+](CCO)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
Properties
Complexity:
738
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
755.664g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
756.207g/mol
Monoisotopic Mass:
755.664g/mol
Rotatable Bond Count:
41
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A single intrathecal injection of DNA and an asymmetric cationic lipid as lipoplexes ameliorates experimental autoimmune encephalomyelitis. | Molecular pharmaceutics 20111003 |
| Activity of intracellular phospholipase A1 and A2 in Giardia lamblia. | The Journal of parasitology 20071001 |
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