Sodium (S) -3-hydroxybutanoate

CAT: 0127-OR1059358-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1059358-01Size:100 mg

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CAS Number

127604-16-4

MDL Number

MFCD00064274

Purity

98%

Smiles

C[C@H](O)CC([O-])=O.[Na+]

Chemical Information

Sodium (S)-3-hydroxybutanoate

CAS Number	127604-16-4
PubChem CID	23665017
IUPAC Name	sodium (3S)-3-hydroxybutanoate
Molecular Formula	C4H7NaO3
Molecular Weight	126.09
Topological Polar Surface Area	60.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	73

SMILES

C[C@@H](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/t3-;/m0./s1

InChIKey

NBPUSGBJDWCHKC-DFWYDOINSA-M

Chemical Structure

2D Structure

CAS: 127604-16-4

CID: 23665017

Formula: C4H7NaO3

MW: 126.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	126.09
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.02928836
Monoisotopic Mass	126.02928836
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	73.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
OR28800-01	Sodium 3-hydroxybutanoate
OR1023528-01	Sodium 2-hydroxybutanoate
BUP18429	Sodium 2-hydroxybutanoate
OR96493-01	Butyl (S) -2-hydroxybutanoate
OR91016-01	(S) -Ethyl 2-hydroxybutanoate
BUP11364-01	(S) -Butyl 2-hydroxybutanoate
OR1001905-01	Methyl (S) -2-hydroxybutanoate
OR1044032	(S) -Ethyl 4-bromo-3-hydroxybutanoate
OR1013819-01	Methyl 3-Hydroxybutanoate
OR1069873-01	(S) -Benzyl 3- ((tert-butoxycarbonyl) amino) -4-hydroxybutanoate

Catalog	Name
289344-01	Sodium (R) -3-hydroxybutanoate
GTR19168438-01	Sodium 2-hydroxybutanoate
HY-W012790S	Sodium 2-hydroxybutanoate-d3
HY-W012790R-01	Sodium 2-hydroxybutanoate (Standard)
RG-H250476-01	Sodium 4-Hydroxybutanoate (controlled substance)
MPA04953	Sodium 2,2,3,3,4,4-hexadeuterio-4-hydroxybutanoate
TRC-S440560-1G	Sodium 3,3-Dimethoxypropanoate
MBA51439-01	3-Sulfanilamidoisoxazole sodium
T35707-01	3'-Sialyllactose sodium
HY-108065A-01	3'-Sialyllactose (sodium)