(R)-(-)-3-Hydroxybutyric acid sodium salt - ≥97% , CAS No.13613-65-5

CAS: 13613-65-5 Cat. No.: H121822 Molecular Weight: 126.09 Beilstein Registry Number: 6118796

GRADE & PURITY ≥97%

Synonyms

AS-19989 | MFCD00077788 | (R)-(-)-Sodium 3-hydroxybutyrate | A856565 | Morphinan-6-one,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)- | (R)-(+)-3-Hydroxybutyric acid, sodium salt | J-524248 | AKOS015995259 | MLS001335959 | (R)-(-)-3-Hydroxybutanoic acid sodium

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

(R)-3-Hydroxybutanoic acid ((R)-3-Hydroxybutyric acid) sodium is a metabolite converted from acetoacetic acid catalyzed by 3-hydroxybutyrate dehydrogenase. (R)-3-Hydroxybutanoic acid sodium can function as a nutrition source, and as a precursor for vitamins, antibiotics and pheromones.

Specifications

Synonyms

AS-19989 | MFCD00077788 | (R)-(-)-Sodium 3-hydroxybutyrate | A856565 | Morphinan-6-one, 5-epoxy-3-methoxy-17-methyl-, (5.alpha.)- | (R)-(+)-3-Hydroxybutyric acid, sodium salt | J-524248 | AKOS015995259 | MLS001335959 | (R)-(-)-3-Hydroxybutanoic acid sodium

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(CC(=O)[O-])O.[Na+]
• IUPAC Name: sodium;(3R)-3-hydroxybutanoate
• InChIKey: NBPUSGBJDWCHKC-AENDTGMFSA-M
• INCHI: 1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1/t3-;/m1./s1
• Isomeric SMILES: C[C@H](CC(=O)[O-])O.[Na+]
• WGK Germany: 3
• Molecular Weight: 126.09
• Beilstein: 6118796
• Reaxy-Rn: 4824866
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4824866&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Short-chain hydroxy acids and derivatives Fatty acids and conjugates Secondary alcohols Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Carboxylic acid salt - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic alkali metal salt - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic oxide - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic sodium salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Specific Rotation[α]: -14°, c = 10 in H2O
• Melt Point(°C): 149-155°C
• Molecular Weight: 126.090 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.029 Da
• Monoisotopic Mass: 126.029 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 73.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Fangfei Qin, Boyuan Li, Hui Wang, Sihui Ma, Jiaofeng Li, Shanglin Liu, Linghao Kong, Huangtao Zheng, Rongfeng Zhu, Yu Han, Mingdong Yang, Kai Li, Xiong Ji, Peng R. Chen.  (2023)  Linking chromatin acylation mark-defined proteome and genome in living cells.  CELL,      [PMID:36868209] [10.1016/j.cell.2023.02.007]

2. Mei He, Weiguang Luo, Shuwei Ning, Yuexin Yu, Bin Yang, Zhikun Guo.  (2025)  Beta-hydroxybutyrate ameliorates cardiac fibrosis in diabetic cardiomyopathy rats via regulating macrophage polarization.  DIABETES RESEARCH AND CLINICAL PRACTICE,      [PMID:40921208] [10.1016/j.diabres.2025.112461]