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(S) -3-Hydroxybutanoic acid (Standard)

CAT: 0804-HY-W050031R-01Size: 5 mgDry Ice: NoHazardous: No
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Description
(S) -3-Hydroxybutanoic acid (Standard) is the analytical standard of (S) -3-Hydroxybutanoic acid. This product is intended for research and analytical applications. (S) -3-Hydroxybutanoic acid is a metabolite and a disease marker for depression. (S) -3-Hydroxybutanoic acid is synthesized in the liver from acetyl-CoA and can be used by the brain as an energy source when blood sugar is low.
CAS Number
6168-83-8
Product Name Alternative
(S) -β-Hydroxybutanoic acid (Standard) ; L- (+) -3-Hydroxybutyric acid (Standard) ; L-β-Hydroxybutyric acid (Standard)
UNSPSC
12352211
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Smiles
C[C@H](O)CC(O)=O
Molecular Formula
C4H8O3
Molecular Weight
104.11
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

(S)-3-hydroxybutyric acid

(S)-3-hydroxybutyric acid is the S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. It is a conjugate acid of a (S)-3-hydroxybutyrate. It is an enantiomer of a (R)-3-hydroxybutyric acid.

CAS Number6168-83-8
PubChem CID94318
IUPAC Name(3S)-3-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
C[C@@H](CC(=O)O)O
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey
WHBMMWSBFZVSSR-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of (S)-3-hydroxybutyric acid
CAS: 6168-83-8
CID: 94318
Formula: C4H8O3
MW: 104.10
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes