Sodium 2-hydroxypentanoate - ≥95% , CAS No.57768-94-2

CAS: 57768-94-2 Cat. No.: B301319 Summenformel: C₅H₉NaO₃ Molekulargewicht: 140.11 PubChem CID: 4176749

GRADE & PURITY ≥95%

Synonyms

Sodium 2-hydroxypentanoate|84176-70-5|57768-94-2|sodium;2-hydroxypentanoate|DL-2-HYDROXYVALERIC ACID SODIUM SALT|DL-A-HYDROXY-N-VALERIC ACID SODIUM SALT|Sodium (1)-2-hydroxyvalerate|EINECS 282-337-5|Sodium2-hydroxypentanoate|SCHEMBL7654071|DTXSID301004434

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Sodium 2-hydroxypentanoate | 84176-70-5 | 57768-94-2 | sodium;2-hydroxypentanoate | DL-2-HYDROXYVALERIC ACID SODIUM SALT | DL-A-HYDROXY-N-VALERIC ACID SODIUM SALT | Sodium (1)-2-hydroxyvalerate | EINECS 282-337-5 | Sodium2-hydroxypentanoate | SCHEMBL7654071 | DTXSID301004434

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504762884

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762884

Kanonisches Lächeln

CCCC(C(=O)[O-])O.[Na+]

IUPAC Name

sodium;2-hydroxypentanoate

InChIKey

DILAZWBRGXXDCF-UHFFFAOYSA-M

INCHI

1S/C5H10O3.Na/c1-2-3-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q;+1/p-1

Isomere SMILES

CCCC(C(=O)[O-])O.[Na+]

PubChem CID

4176749

Molekulargewicht

140.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Monosaccharides
• Alternative Parents: 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: Monosaccharide - 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 - Alcohol - Carbonyl group - Organic sodium salt - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 140.110 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.045 Da
• Monoisotopic Mass: 140.045 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 84.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 57768-94-2, the molecular formula is C5H9NaO3, and the molecular weight is 140.11 g/mol. InChIKey DILAZWBRGXXDCF-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.