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1852-49-9

1852-49-9 structural image
Product Name: 3ALPHA,20ALPHA-DIHYDROXY-5BETA-PREGNANE 3-GLUCURONIDE
Formula: C27H44O8
Synonyms: 3α,20α-Dihydroxy-5β-pregnane 3-glucuronide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 496.6 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 496.30361836 g/mol
Monoisotopic Mass 496.30361836 g/mol
Topological Polar Surface Area 137 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 806
Isotope Atom Count 0
Defined Atom Stereocenter Count 14
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

Pregnanediol-3-glucuronide is a steroid glucosiduronic acid.