Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate

Name: Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
SKU: ACM137076541-1
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Catalog NumberACM137076541-1

CAS Number137076-54-1

CategoryMacrocycles; Supramolecular Host Materials

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

572.7g/mol

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

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)

InChI Key

RVUXZXMKYMSWOM-UHFFFAOYSA-N

Complexity

799

Covalently-Bonded Unit Count

Exact Mass

572.378515g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

572.378515g/mol

Rotatable Bond Count

XLogP3

0.2

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