200,000+ products from a single source!
sales@angenechem.com
131933-53-4 | 1-Propanaminium, N-[3-(hexadecylthio)-2-methoxypropyl]-2,3-dihydroxy-N,N-dimethyl-, bromide (1:1)
CAS No: 131933-53-4 Catalog No: AG000ZXD MDL No:
Product Description
Catalog Number:
AG000ZXD
Chemical Name:
1-Propanaminium, N-[3-(hexadecylthio)-2-methoxypropyl]-2,3-dihydroxy-N,N-dimethyl-, bromide (1:1)
CAS Number:
131933-53-4
Molecular Formula:
C25H54BrNO3S
Molecular Weight:
528.6702
IUPAC Name:
2,3-dihydroxypropyl-(3-hexadecylsulfanyl-2-methoxypropyl)-dimethylazanium
InChI:
InChI=1S/C25H54NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-23-25(29-4)21-26(2,3)20-24(28)22-27/h24-25,27-28H,5-23H2,1-4H3/q+1
InChI Key:
GQZXLVIWYCWCSJ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCSCC(C[N+](CC(CO)O)(C)C)OC.[Br-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.382g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
448.771g/mol
Monoisotopic Mass:
448.382g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
Literature
| Title | Journal |
|---|---|
| In vitro evaluation of phosphocholine and quaternary ammonium containing lipids as novel anti-HIV agents. | Journal of medicinal chemistry 19910401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.