Sodium pentanoate - ≥97% , CAS No.6106-41-8

CAS: 6106-41-8 Cat. No.: S194180 Fórmula: C₅H₉NaO₂ Peso molecular: 124.11 Número CE: 228-064-7 PubChem CID: 3669864

GRAU & PUREZA ≥97%

Synonyms

Sodium n-pentanoate | SODIUM PENTANOATE 96+% | Valeric acid, sodium salt | SY115894 | Sodiumpentanoate | AS-58083 | Sodium n-valerate | MFCD00066205 | LHYPLJGBYPAQAK-UHFFFAOYSA-M | Q27277563 | SCHEMBL109106 | Sodium pentanoate | EN300-7417459 | F30B9E0OMQ

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Sodium n-pentanoate | SODIUM PENTANOATE 96+% | Valeric acid, sodium salt | SY115894 | Sodiumpentanoate | AS-58083 | Sodium n-valerate | MFCD00066205 | LHYPLJGBYPAQAK-UHFFFAOYSA-M | Q27277563 | SCHEMBL109106 | Sodium pentanoate | EN300-7417459 | F30B9E0OMQ

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488194502

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194502

Sorrisos canónicos

CCCCC(=O)[O-].[Na+]

IUPAC Name

sodium;pentanoate

InChIKey

LHYPLJGBYPAQAK-UHFFFAOYSA-M

INCHI

1S/C5H10O2.Na/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1

SMILES isoméricas

CCCCC(=O)[O-].[Na+]

PubChem CID

3669864

Peso molecular

124.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acids and conjugates
• Alternative Parents: Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms).
• 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

Alvos associados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Carbonic anhydrase (69 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 124.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 124.05 Da
• Monoisotopic Mass: 124.05 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 6106-41-8, the molecular formula is C5H9NaO2, and the molecular weight is 124.11 g/mol. InChIKey LHYPLJGBYPAQAK-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.