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79254-98-1

79254-98-1 structural image
Product Name: (3a,5b,7a)-24-[(carboxymethyl)amino]-7-hydroxy-24-oxocholan-3-yl b-D-glucopyranosiduronic acid
Formula: C32H51NO11
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COMPUTED DESCRIPTORS

Molecular Weight 625.7 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 9
Exact Mass 625.34621144 g/mol
Monoisotopic Mass 625.34621144 g/mol
Topological Polar Surface Area 203 Ų
Heavy Atom Count 44
Formal Charge 0
Complexity 1090
Isotope Atom Count 0
Defined Atom Stereocenter Count 15
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

Glycochenodeoxycholic acid 3-glucuronide is a steroid glucosiduronic acid.