CID6395139 structure

CID6395139

bis(2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate);bis(holmium(3+))

CAS: 7229-23-4
Molecular Formula C28H46Ho2N6O20+2
Molecular Weight 1116.1373 g/mol
LogP -10.8504
Topological Polar Surface Area 410.08 Ų
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 20
Rotatable Bonds 32
Exact Mass 1116.1373
Monoisotopic Mass 1116.1373
Heavy Atoms 56
Complexity 1097.1912

Chemical Identifiers

CAS Number 7229-23-4
SMILES C(CN(CC(O)[O-])CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.C(CN(CC(O)[O-])CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Ho+3].[Ho+3]

Product Overview

CID6395139 (CAS 7229-23-4), with molecular formula C28H46Ho2N6O20+2 and molecular weight 1116.1373 g/mol. IUPAC: bis(2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate);bis(holmium(3+)).

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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