Valeric acid - Moligand™, analytical standard , CAS No.109-52-4

CAS: 109-52-4 Cat. No.: V108271 Summenformel: C₅H₁₀O₂ Molekulargewicht: 102.13 Beilstein Registry Number: 969454 EG-Nummer: 203-677-2 PubChem CID: 7991

GRADE & PURITY Analytical standard, Moligand™

Synonyms

Kyselina valerova | CHEBI:17418 | FT-0694066 | Valeric acid ( Pentanoic acid ) | VALPROIC ACID IMPURITY A [EP IMPURITY] | Valeriansaure | Z104473312 | 1-Butanecarboxylate | LMFA01010005 | Valeric acid, >=99%, FCC, FG | 1219804-71-3 | BRN 0969454 | CAS-109

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyme

Kyselina valerova | CHEBI:17418 | FT-0694066 | Valeric acid ( Pentanoic acid ) | VALPROIC ACID IMPURITY A [EP IMPURITY] | Valeriansaure | Z104473312 | 1-Butanecarboxylate | LMFA01010005 | Valeric acid, >=99%, FCC, FG | 1219804-71-3 | BRN 0969454 | CAS-109

Spezifikationen & Reinheit

Moligand™, analytical standard

Storage

Room temperature,Desiccated

Verschickt in

FedEx DG Service

Note

Analytischer Standard, Moligand™

Namen und Kennungen

Pubchem Sid

528772333

Kanonisches Lächeln

CCCCC(=O)O

IUPAC Name

pentanoic acid

InChIKey

NQPDZGIKBAWPEJ-UHFFFAOYSA-N

INCHI

1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)

Isomere SMILES

CCCCC(=O)O

WGK Deutschland

1

RTECS

YV6100000

PubChem CID

7991

UN-Nummer

3265

Verpackungsgruppe

I

Molekulargewicht

102.13

Beilstein

969454

Reaxy-Rn

969454

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• External Descriptors: Straight chain fatty acids

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

Zugehörige Ziele (menschlich)

FFAR2 Tchem Free fatty acid receptor 2 (0 Activities)

Discover Target: FFAR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FFAR3 Tchem Free fatty acid receptor 3 (0 Activities)

Discover Target: FFAR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

Zugehörige Ziele (nicht menschlich)

HD1 Histone deacetylase (38 Activities)

Discover Target: HD1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, soluble in ethanol and ether.
• Empfindlichkeit: Moisture sensitive.
• Brechungsindex: 1.407-1.41
• Flammpunkt (°F): 204.8 °F
• Flammpunkt (°C): 96℃
• Siedepunkt (°C): 110-111°C/10 mmHg
• Schmelzpunkt (°C): -20--18°C
• Molekulargewicht: 102.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068 Da
• Monoisotopic Mass: 102.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 59.100
• 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: 1