6-Phosphonohexanoic acid - ≥97% , CAS No.5662-75-9

CAS: 5662-75-9 Cat. No.: P333617 Fórmula: C₆H₁₃O₅P Peso molecular: 196.14 Número EC: 625-332-9 PubChem CID: 10921447

CALIDAD & PUREZA ≥97%

Synonyms

6-Phosphonohexanoic acid, 97% | DTXSID50448397 | SCHEMBL504411 | BDBM50131860 | MFCD10000902 | 6-phosphonohexanoic Acid | 6-Phosphono-hexanoic acid | Hexanoic acid, 6-phosphono- | 6- Phosphonohexanoic acid | 6-Phosphonohexanoicacid

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

6-Phosphonohexanoic acid, 97% | DTXSID50448397 | SCHEMBL504411 | BDBM50131860 | MFCD10000902 | 6-phosphonohexanoic Acid | 6-Phosphono-hexanoic acid | Hexanoic acid, 6-phosphono- | 6- Phosphonohexanoic acid | 6-Phosphonohexanoicacid

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488196932

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196932

Sonrisas canónicas

C(CCC(=O)O)CCP(=O)(O)O

IUPAC Name

6-phosphonohexanoic acid

InChIKey

SYFTUNQVCGSBOV-UHFFFAOYSA-N

INCHI

1S/C6H13O5P/c7-6(8)4-2-1-3-5-12(9,10)11/h1-5H2,(H,7,8)(H2,9,10,11)

Isómeros SMILES

C(CCC(=O)O)CCP(=O)(O)O

WGK Alemania

3

PubChem CID

10921447

Peso molecular

196.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Organic phosphonic acids Monocarboxylic acids and derivatives Carboxylic acids Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Organophosphonic acid derivative - Organophosphonic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 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

Objetivos asociados (humanos)

PTPRCAP Tbio Protein tyrosine phosphatase receptor type C-associated protein (32 Activities)

Discover Target: PTPRCAP

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

ALPG Tchem Alkaline phosphatase placental-like (1197 Activities)

Discover Target: ALPG

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

Objetivos asociados (no humanos)

Alpl Alkaline phosphatase tissue-nonspecific (94 Activities)

Discover Target: Alpl

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 98-104° C
• Peso molecular: 196.140 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 196.05 Da
• Monoisotopic Mass: 196.05 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• 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

Preguntas frecuentes

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 5662-75-9, the molecular formula is C6H13O5P, and the molecular weight is 196.14 g/mol. InChIKey SYFTUNQVCGSBOV-UHFFFAOYSA-N.

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.