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144796-42-9 | Ethanaminium, 2-[[hydroxy[[12-[3-(iodo-125I)phenyl]dodecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt
CAS No: 144796-42-9 Catalog No: AG001K6R MDL No:
Product Description
Catalog Number:
AG001K6R
Chemical Name:
Ethanaminium, 2-[[hydroxy[[12-[3-(iodo-125I)phenyl]dodecyl]oxy]phosphinyl]oxy]-N,N,N-trimethyl-, inner salt
CAS Number:
144796-42-9
Molecular Formula:
C23H42INO4P+
Molecular Weight:
554.4621
IUPAC Name:
[14-(3-iodophenyl)-2-phosphonooxytetradecyl]-trimethylazanium
InChI:
InChI=1S/C23H41INO4P/c1-25(2,3)20-23(29-30(26,27)28)18-13-11-9-7-5-4-6-8-10-12-15-21-16-14-17-22(24)19-21/h14,16-17,19,23H,4-13,15,18,20H2,1-3H3,(H-,26,27,28)/p+1
InChI Key:
VOFGDAZEYNICAF-UHFFFAOYSA-O
SMILES:
Ic1cccc(c1)CCCCCCCCCCCCC(C[N+](C)(C)C)OP(=O)(O)O
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.19g/mol
Formal Charge:
1
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
554.47g/mol
Monoisotopic Mass:
554.19g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationship effects on the tumor avidity of radioiodinated phospholipid ether analogues. | Journal of medicinal chemistry 20060406 |
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