5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;sodium


Chemical Name: 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;sodium
CAS Number: 160369-85-7
Product Number: AG001RV2(AGN-PC-00URFP)
Synonyms:
MDL No:
Molecular Formula: C19H21BrClN2NaO9
Molecular Weight: 559.7248

Identification/Properties


Computed Properties
Molecular Weight:
559.726g/mol
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
7
Exact Mass:
558.002g/mol
Monoisotopic Mass:
558.002g/mol
Topological Polar Surface Area:
184A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
712
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
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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