Nonacosansäure - ≥95%(GC) , CAS No.4250-38-8

CAS: 4250-38-8 Cat. No.: N159238 Summenformel: C₂₉H₅₈O₂ Molekulargewicht: 438.78 Beilstein Registry Number: 2(4)1320

GRADE & PURITY ≥95%(GC)

Synonyms

UNII-PD7M4BT88J | PD7M4BT88J | NONACOSANOICACID | FA 29:0 | NONACOSANOIC ACID | HY-W127481 | IHEJEKZAKSNRLY-UHFFFAOYSA-N | CHEBI:84867 | N0662 | LMFA01010029 | C3835646-6D3D-4B9E-9E22-E3B396F10F87 | SCHEMBL2053632 | C28H57COOH | C29:0 | Q15425769 | nonaco

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

UNII-PD7M4BT88J | PD7M4BT88J | NONACOSANOICACID | FA 29:0 | NONACOSANOIC ACID | HY-W127481 | IHEJEKZAKSNRLY-UHFFFAOYSA-N | CHEBI:84867 | N0662 | LMFA01010029 | C3835646-6D3D-4B9E-9E22-E3B396F10F87 | SCHEMBL2053632 | C28H57COOH | C29:0 | Q15425769 | nonaco

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

504752970

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752970

Kanonisches Lächeln

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

IUPAC Name

nonacosanoic acid

InChIKey

IHEJEKZAKSNRLY-UHFFFAOYSA-N

INCHI

1S/C29H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-28H2,1H3,(H,30,31)

Isomere SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Molekulargewicht

438.78

Beilstein

2(4)1320

Reaxy-Rn

1802983

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1802983&ln=

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: Very long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Very long-chain fatty acid - 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 very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 90℃
• Molekulargewicht: 438.800 g/mol
• XLogP3: 13.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 27
• Exact Mass: 438.444 Da
• Monoisotopic Mass: 438.444 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 340.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). 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 4250-38-8, the molecular formula is C29H58O2, and the molecular weight is 438.78 g/mol. InChIKey IHEJEKZAKSNRLY-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.