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81187-21-5

81187-21-5 structural image
Product Name: (+/-)-12-HYDROXY-5Z,8Z,10E,14Z,17Z-EICOSAPENTAENOIC ACID
Formula: C20H30O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid

COMPUTED DESCRIPTORS

Molecular Weight 318.4 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 13
Exact Mass 318.21949481 g/mol
Monoisotopic Mass 318.21949481 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 428
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 5
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

12-HEPE is a hydroxyicosapentaenoic acid that consists of 5Z,8Z,10E,14Z,17Z-icosapentaenoic acid bearing an additional 12-hydroxy substituent. It has a role as a mouse metabolite. It is a conjugate acid of a 12-HEPE(1-).