Estra-1,3,5(10)-triene-3,16,17-triol,tris(hydrogen sulfate), trisodium salt, (16a,17b)- (9CI)


Chemical Name: Estra-1,3,5(10)-triene-3,16,17-triol,tris(hydrogen sulfate), trisodium salt, (16a,17b)- (9CI)
CAS Number: 100940-55-4
Product Number: AG00039H(AGN-PC-0OQ653)
Synonyms:
MDL No:
Molecular Formula: C18H21Na3O12S3
Molecular Weight: 594.5164

Identification/Properties


Computed Properties
Molecular Weight:
594.503g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
12
Rotatable Bond Count:
3
Exact Mass:
593.989g/mol
Monoisotopic Mass:
593.989g/mol
Topological Polar Surface Area:
224A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
1010
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:
4
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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