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Sodium 2-hydroxybutanoate

CAT: 0804-HY-W012790-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W012790-01Size:1 g
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Description
Sodium 2-hydroxybutanoate is an endogenous metabolite.
CAS Number
5094-24-6
UNSPSC
12352300
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/sodium-2-hydroxybutanoate.html
Concentration
10mM
Purity
98.0
Solubility
H2O : 50 mg/mL (ultrasonic)
Smiles
CCC(O)C(O[Na])=O
Molecular Formula
C4H7NaO3
Molecular Weight
126.09
Precautions
H302, H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Sodium DL-2-hydroxybutyrate
CAS Number5094-24-6
PubChem CID23663641
IUPAC Namesodium 2-hydroxybutanoate
Molecular FormulaC4H7NaO3
Molecular Weight126.09
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity73
SMILES
CCC(C(=O)[O-])O.[Na+]
InChI
InChI=1S/C4H8O3.Na/c1-2-3(5)4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
MOSCXNXKSOHVSQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium DL-2-hydroxybutyrate
CAS: 5094-24-6
CID: 23663641
Formula: C4H7NaO3
MW: 126.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.09
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass126.02928836
Monoisotopic Mass126.02928836
Topological Polar Surface Area60.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity73.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes