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3-Hydroxybutyric acid (BHB)

CAT: 1568-C07452-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C07452-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
300-85-6
Synonyms
3-hydroxybutanoic acid, β-Hydroxybutyric acid
Target
Others
Applications
Others
Molecular Formula
C4H8O3
Additionnal Information
3-Hydroxybutyric acid (BHB) is a small molecule metabolite that is elevated in type I diabetes.
Storage Conditions
2 years -20°C (in the dark)

Chemical Information

3-Hydroxybutyric Acid

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 hydroxybutyric acid, a 3-hydroxy monocarboxylic 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.

CAS Number300-85-6
PubChem CID441
IUPAC Name3-hydroxybutanoic acid
Molecular FormulaC4H8O3
Molecular Weight104.10
XLogP-0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity69
SMILES
CC(CC(=O)O)O
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
WHBMMWSBFZVSSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxybutyric Acid
CAS: 300-85-6
CID: 441
Formula: C4H8O3
MW: 104.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.10
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass104.047344113
Monoisotopic Mass104.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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