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126320-57-8 | 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 1,4,8,11-tetraethyl ester
CAS No: 126320-57-8 Catalog No: AG000SKM MDL No:
Product Description
Catalog Number:
AG000SKM
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 1,4,8,11-tetraethyl ester
CAS Number:
126320-57-8
Molecular Formula:
C26H48N4O8
Molecular Weight:
544.6813
IUPAC Name:
ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
InChI:
InChI=1S/C26H48N4O8/c1-5-35-23(31)19-27-11-9-12-29(21-25(33)37-7-3)17-18-30(22-26(34)38-8-4)14-10-13-28(16-15-27)20-24(32)36-6-2/h5-22H2,1-4H3
InChI Key:
HGPDBLIYOCNCEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.347g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
544.69g/mol
Monoisotopic Mass:
544.347g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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