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Chemical structure of (±)-H3RESCA-TFP

GC39467

(±)-H3RESCA-TFP

Also known as 2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-[[4-[2-oxo-2-(2,3,5,6-tetrafluorophenoxy)ethyl]phenyl]methyl]amino]acetic acid

(±)-H3RESCA-TFP ((±)-H3L28) is a tetrafluorophenyl ester derivative of restrained complexing agent (RESCA)· (±)-H3RESCA-TFP can be used to conjugate the chelator with a biomolecule via amine coupling (e·g·, N terminus and/or the ε-amino groups of lysine)

ChemicalCAS1919794-40-3MW584.51FormulaC27H28F4N2O8
CAS number
1919794-40-3
Molecular weight
584.51
Formula
C27H28F4N2O8
Solubility
Soluble in DMSO
InChIKey
GKFBSFKLJKSHSZ-WOJBJXKFSA-N
Catalogue number
GC39467
Brand
GLPBIO
Computed properties PubChem CID 135334527 · XLogP -0.9 · TPSA 145 Ų · H-bond donors 3
XLogP
-0.9
TPSA
145 Ų
H-bond donors
3
H-bond acceptors
14
Rotatable bonds
14
Heavy atoms
41

SMILES C1CC[C@H]([C@@H](C1)N(CC2=CC=C(C=C2)CC(=O)OC3=C(C(=CC(=C3F)F)F)F)CC(=O)O)N(CC(=O)O)CC(=O)O

Computed descriptors from PubChem (CID 135334527), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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