(S) -3-Hydroxybutyric acid

CAT: 0498-bs-75517C-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0498-bs-75517C-01Size:25 mg

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CAS Number

6168-83-8

Conjugation

Unconjugated

Purity

>98% (TLC)

Buffer

Solid

Solubility

Soluble in water, 100% ethanol or methanol.

Smiles

C[C@H](O)CC(O)=O

Molecular Formula

C4H8O3

Molecular Weight

104.1

Storage Conditions

Stable for 2 years after receipt when stored at -20°C.

Appearance

White solid.

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 Number	6168-83-8
PubChem CID	94318
IUPAC Name	(3S)-3-hydroxybutanoic acid
Molecular Formula	C4H8O3
Molecular Weight	104.10
XLogP	-0.5
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	69

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

CAS: 6168-83-8

CID: 94318

Formula: C4H8O3

MW: 104.10

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	104.10
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	104.047344113
Monoisotopic Mass	104.047344113
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	69.3
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	1
Compound Is Canonicalized	Yes

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HY-113378-01	3-Hydroxybutyric acid
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T65133-01	3-Hydroxybutyric acid sodium
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H10430-01	3-Hydroxybutyric acid 95%

(S) -3-Hydroxybutyric acid

Chemical Information

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