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103239-14-1

103239-14-1 structural image
Product Name: 12(S)-HPEPE
Formula: C20H30O4
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COMPUTED DESCRIPTORS

Molecular Weight 334.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 14
Exact Mass 334.21440943 g/mol
Monoisotopic Mass 334.21440943 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 445
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 5
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

12(S)-HpEPE is a 12-HPEPE in which the hydroperoxy group at positions 12 has S-configuration. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a 12(S)-HpEPE(1-).