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137076-50-7 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7,10-tetraethyl ester
CAS No: 137076-50-7 Catalog No: AG0012TO MDL No:
Product Description
Catalog Number:
AG0012TO
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7,10-tetraethyl ester
CAS Number:
137076-50-7
Molecular Formula:
C24H44N4O8
Molecular Weight:
516.6282
IUPAC Name:
ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChI:
InChI=1S/C24H44N4O8/c1-5-33-21(29)17-25-9-11-26(18-22(30)34-6-2)13-15-28(20-24(32)36-8-4)16-14-27(12-10-25)19-23(31)35-7-3/h5-20H2,1-4H3
InChI Key:
SHXTUKRRXWXLMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.316g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.636g/mol
Monoisotopic Mass:
516.316g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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