Estradiol-3-carboxymethyl ether
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Estradiol-3-carboxymethyl ether
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CAS No:
41164-36-7
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Formula:
C20H26O4
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Chemical Name:
Estradiol-3-carboxymethyl ether
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Synonyms:
Acetic acid,[[(17β)-17-hydroxyestra-1,3,5(10)-trien-3-yl]oxy]-;[[(17β)-17-Hydroxyestra-1,3,5(10)-trien-3-yl]oxy]acetic acid;3-O-(Carboxymethyl)estradiol;O3-Carboxymethyl estradiol;Estradiol-3-carboxymethyl ether
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CAS No:
Description
17beta-estradiol 3-O-carboxymethyl ether is a 17beta-hydroxy steroid that is 17beta-estradiol in which the 3-hydroxy group carries a carboxymethyl substituent. It has a role as a hapten. It is a 17beta-hydroxy steroid, a monocarboxylic acid and an ether. It derives from a 17beta-estradiol.
Computed Properties
Molecular Weight:330.4
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:330.18310931
Monoisotopic Mass:330.18310931
Topological Polar Surface Area:66.8
Heavy Atom Count:24
Complexity:492
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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