Synonyms
Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate
IUPAC Name
2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Weight
572.73
Molecular Formula
C28H52N4O8
Canonical SMILES
CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O
InChI
RVUXZXMKYMSWOM-UHFFFAOYSA-N
InChI Key
InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)
Boiling Point
632.1±55.0 °C(Predicted)
Melting Point
129-131 ºC
Purity
97%
Storage
Store at +2°C to +8°C.
Complexity
799
Covalently-Bonded Unit Count
1
Exact Mass
572.37851463
H-Bond Acceptor
12
H-Bond Donor
1
Heavy Atom Count
40
Monoisotopic Mass
572.37851463
Rotatable Bond Count
14
Topological Polar Surface Area
129 Ų
