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Homecas3602-09-3

3602-09-3

3602-09-3 structural image
Product Name: 3ALPHA-HYDROXY-5BETA-ANDROSTAN-17-ONE 3-GLUCURONIDE
Formula: C25H38O8
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Collision Cross Section 208.4 Ų [M-H]-

COMPUTED DESCRIPTORS

Molecular Weight 466.6 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 466.25666817 g/mol
Monoisotopic Mass 466.25666817 g/mol
Topological Polar Surface Area 134 Ų
Heavy Atom Count 33
Formal Charge 0
Complexity 801
Isotope Atom Count 0
Defined Atom Stereocenter Count 12
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

3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid is a steroid glucosiduronic acid. It has a role as a human metabolite and a mouse metabolite. It is functionally related to a 3alpha-hydroxy-5beta-androstan-17-one.