Synonyms
1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetic acid, 1,4,8,11-tetraethyl ester
IUPAC Name
ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
Molecular Weight
544.68
Molecular Formula
C26H48N4O8
Canonical SMILES
CCOC(=O)CN1CCCN(CCN(CCCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC
InChI
HGPDBLIYOCNCEH-UHFFFAOYSA-N
InChI Key
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
Melting Point
87-89 °C
Purity
98%
Appearance
White to yellow powder
Complexity
595
Covalently-Bonded Unit Count
1
Exact Mass
544.34721450
H-Bond Acceptor
12
Heavy Atom Count
38
Monoisotopic Mass
544.34721450
Rotatable Bond Count
16
Topological Polar Surface Area
118 Ų
