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82200-87-1

82200-87-1 structural image
Product Name: 5(S), 15(S)-DIHETE
Formula: C20H32O4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 336.5 g/mol
XLogP3 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 14
Exact Mass 336.23005950 g/mol
Monoisotopic Mass 336.23005950 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 24
Formal Charge 0
Complexity 421
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 4
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

5(S),15(S)-DiHETE is a DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15S-positions. It has a role as a rat metabolite and a human xenobiotic metabolite. It is a conjugate acid of a 5(S),15(S)-DiHETE(1-).