COMPUTED DESCRIPTORS
| Molecular Weight | 132.16 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 132.078644241 g/mol |
| Monoisotopic Mass | 132.078644241 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 101 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(2R,3S)-2-hydroxy-3-methylpentanoic acid is a valeric acid derivative having an (R)-hydroxy substituent at the 2-position and an (S)-methyl substituent at the 3-position; one of 4 steroisomers of 2-hydroxy-3-methylpentanoic acid, generated by isoleucine metabolism. Found at significantly higher levels than normal in patients with maple syrup urine disease (MSUD). It is a (2R)-2-hydroxy monocarboxylic acid and a 2-hydroxy-3-methylpentanoic acid. It is functionally related to a valeric acid. It is a conjugate acid of a (2R,3S)-2-hydroxy-3-methylpentanoate.