3-Pyrrolidinesulfonic acid,1-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]oxy]-2,5-dioxo-, monosodium salt


Chemical Name: 3-Pyrrolidinesulfonic acid,1-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]oxy]-2,5-dioxo-, monosodium salt
CAS Number: 119616-38-5
Product Number: AG0081I2(AGN-PC-0PDJER)
Synonyms:
MDL No:
Molecular Formula: C14H18N3NaO8S2
Molecular Weight: 443.4278

Identification/Properties


Computed Properties
Molecular Weight:
443.421g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
8
Exact Mass:
443.043g/mol
Monoisotopic Mass:
443.043g/mol
Topological Polar Surface Area:
196A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
771
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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