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4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate]

4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate] structure

CAS No:
947326-26-3
Formula:
C30H48N8O8S4
Chemical Name:
4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate]
Synonyms:
4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate];4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate] Ditrifluoroacetate Salt;CLaNP-5;Methanesulfonothioic Acid S1,S1'-[[4,10-Bis[(1-oxido-2-pyridinyl)Methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl]bis[(1-oxo-2,1-ethanediyl)iMino-2,1-ethanediyl]] Ester Ditrifluoroacetate;4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate] Ditrifluoroacetate Salt (90%);Methanesulfonothioic acid, S1,S1'-[[4,10-bis[(1-oxido-2-pyridinyl)methyl]-1,4,7,10-tetraazacyclododecane-1,7-diyl]bis[(1-oxo-2,1-ethanediyl)imino-2,1-ethanediyl]] ester

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Description

Off-White Solid

4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate] Basic Attributes

Molecular Weight：

777.01092

Exact Mass：

776.248

DSSTox ID：

DTXSID80747183

Characteristics

PSA：

258

XLogP3：

-2.6

Melting Point：

<40°C

Storage Conditions：

-20°C Freezer, Under Inert Atmosphere

4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate] Use and Manufacturing

Lanthanide chelator, Caged Lanthanide NMR Probe 5 (CLaNP-5) readily attachable to a protein surface via two cysteine residues. It is designate as a protein probe to deliver unambiguous high quality structural restraints in studies on protein-protein and protein-ligand interactions. Chelating agent.

Computed Properties

Molecular Weight:777.0
XLogP3:-2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:16
Exact Mass:776.24779521
Monoisotopic Mass:776.24779521
Topological Polar Surface Area:258
Heavy Atom Count:50
Complexity:1130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate]

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

4,10-Bis[(1-oxido-2-pyridinyl)methyl]-1,7-bis[2-(acetylamino)ethylmethanesulfonothioate]

SDS

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