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41164-36-7

41164-36-7 structural image
Product Name: B-ESTRADIOL 3-CARBOXYMETHYL ETHER
Formula: C20H26O4
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COMPUTED DESCRIPTORS

Molecular Weight 330.4 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 330.18310931 g/mol
Monoisotopic Mass 330.18310931 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 492
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

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 is functionally related to a 17beta-estradiol.