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

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

    Catalog Number
    ACM137076541-1
    CAS Number
    137076-54-1
    Product Name
    Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate
    Structure
    Category
    Macrocycles; Supramolecular Host Materials
    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
    1
    Exact Mass
    572.378515g/mol
    Formal Charge
    0
    Heavy Atom Count
    40
    Monoisotopic Mass
    572.378515g/mol
    Rotatable Bond Count
    14
    XLogP3
    0.2
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