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60239-20-5 | 2,2',2'',2'''-(1,4,7,10-Tetraazacyclotridecane-1,4,7,10-tetrayl)tetraacetic acid
CAS No: 60239-20-5 Catalog No: AG003DLS MDL No:
Product Description
Catalog Number:
AG003DLS
Chemical Name:
2,2',2'',2'''-(1,4,7,10-Tetraazacyclotridecane-1,4,7,10-tetrayl)tetraacetic acid
CAS Number:
60239-20-5
Molecular Formula:
C17H30N4O8
Molecular Weight:
418.4421
IUPAC Name:
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
InChI:
InChI=1S/C17H30N4O8/c22-14(23)10-18-2-1-3-19(11-15(24)25)5-7-21(13-17(28)29)9-8-20(6-4-18)12-16(26)27/h1-13H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29)
InChI Key:
WTHDJYYROCOPPR-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.206g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
418.447g/mol
Monoisotopic Mass:
418.206g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-10.2
Literature
| Title | Journal |
|---|---|
| Radiopharmaceuticals for targeted radiotherapy. | Radiation protection dosimetry 20050101 |
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