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-).