2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-methylsulfonylsulfanylethylamino)-2-oxoethyl]amino]acetic acid


Chemical Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-(2-methylsulfonylsulfanylethylamino)-2-oxoethyl]amino]acetic acid
CAS Number: 832733-28-5
Product Number: AG008IKP(AGN-PC-0JEKQG)
Synonyms:
MDL No:
Molecular Formula: C13H23N3O9S2
Molecular Weight: 429.4664

Identification/Properties


Computed Properties
Molecular Weight:
429.459g/mol
XLogP3:
-6.3
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
15
Exact Mass:
429.088g/mol
Monoisotopic Mass:
429.088g/mol
Topological Polar Surface Area:
215A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
617
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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