2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid


Chemical Name: 2,5-dioxo-1-(4-(pyridin-2-yldisulfanyl)butanoyloxy)pyrrolidine-3-sulfonic acid
CAS Number: 1628113-16-5
Product Number: AG001TFE(AGN-PC-0WAGHW)
Synonyms:
MDL No:
Molecular Formula: C13H14N2O7S3
Molecular Weight: 406.4545

Identification/Properties


Computed Properties
Molecular Weight:
406.442g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
9
Exact Mass:
405.996g/mol
Monoisotopic Mass:
405.996g/mol
Topological Polar Surface Area:
190A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
620
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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