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Sodium 3-hydroxybutanoate

CAT: 0127-OR28800-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR28800-01Size:100 g
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CAS Number
150-83-4
MDL Number
MFCD00016716
Purity
98%
Smiles
[Na+].CC(O)CC(=O)[O-]
Storage Conditions
Store at 2-8°C

Chemical Information

Sodium 3-hydroxybutyrate

Sodium 3-hydroxybutyrate is an organic sodium salt resulting from the replacement of the proton from the carboxy group of 3-hydroxybutyric acid by a sodium ion. It has a role as a human metabolite. It contains a 3-hydroxybutyrate.

CAS Number150-83-4
PubChem CID23676771
IUPAC Namesodium 3-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
CC(CC(=O)[O-])O.[Na+]
InChI
InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1
InChIKey
NBPUSGBJDWCHKC-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 3-hydroxybutyrate
CAS: 150-83-4
CID: 23676771
Formula: C4H7NaO3
MW: 126.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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RG-H250476-01Sodium 4-Hydroxybutanoate (controlled substance)
MPA04953Sodium 2,2,3,3,4,4-hexadeuterio-4-hydroxybutanoate
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