COMPUTED DESCRIPTORS
| Molecular Weight | 218.25 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 218.11542367 g/mol |
| Monoisotopic Mass | 218.11542367 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 202 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-hydroxysebacic acid is an alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3. It has a role as a human urinary metabolite. It is an alpha,omega-dicarboxylic acid, a 3-hydroxy carboxylic acid and a dicarboxylic fatty acid. It is functionally related to a sebacic acid. It is a conjugate acid of a 3-hydroxysebacate and a 3-hydroxysebacate(2-).