26063-00-3
Product Name:
POLY(3-HYDROXYBUTYRIC ACID)
Formula:
C12H18O6X2
Synonyms:
P3HB;PHA;PHB;Polyhydroxybutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Hygroscopic liquid; [Merck Index] Clear, colorless to light yellow viscous liquid; Hygroscopic; [Acros Organics MSDS] |
|---|---|
| Collision Cross Section | 137.54 Ų [M-H]- [CCS Type: DT, Method: stepped-field] |
| Kovats Retention Index | 976.6 |
| Chemical Classes | Other Classes -> Organic Acids |
COMPUTED DESCRIPTORS
| Molecular Weight | 104.10 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 104.047344113 g/mol |
| Monoisotopic Mass | 104.047344113 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Complexity | 69.3 |
| 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-hydroxybutyric acid is a straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. It has a role as a human metabolite. It is a 3-hydroxy monocarboxylic acid, a hydroxybutyric acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-hydroxybutyrate.