パルミチン酸-1-(¹³C) - ≥99原子％以上の13C , CAS No.57677-53-9

CAS: 57677-53-9 Cat. No.: P346808 分子式: (¹³C)C₁₅H₃₂O₂ 分子量: 257.42 EC番号: 624-077-0

GRADE & PURITY ≥99 atom% 13C

Synonyms

2QQO35IYD7 | D78975 | HEXADECANOICACID-1-¹³C | Palmitic acid-1-(¹³-C) | DTXSID40432301 | HY-N0830S3 | starbld0016623 | Hexadecanoic acid-1-¹³C | Hexadecanoic-1-¹³c acid | SCHEMBL1332805 | Palmitic acid-1-¹³C, S & P tested, 99 atom % ¹³C | Palmitic acid-1-

Storage

遮光,-20℃保存,アルゴン充填

Shipped In

アイスチェスト＋アイスパッド

概要

アプリケーション
リピドミクス、メタボリズム、メタボロミクス

Specifications

同義語

2QQO35IYD7 | D78975 | HEXADECANOICACID-1-¹³C | Palmitic acid-1-(¹³-C) | DTXSID40432301 | HY-N0830S3 | starbld0016623 | Hexadecanoic acid-1-¹³C | Hexadecanoic-1-¹³c acid | SCHEMBL1332805 | Palmitic acid-1-¹³C, S & P tested, 99 atom % ¹³C | Palmitic acid-1-

仕様と純度

≥99原子％以上の13C

保管条件

遮光,-20℃保存,アルゴン充填

入荷

アイスチェスト＋アイスパッド

純度

≥99 atom% 13C

名前と識別子

• パブケム・シド: 504765036
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504765036
• カノニカル・スマイル: CCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: (113C)hexadecanoic acid
• InChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-N
• INCHI: 1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
• 異性体SMILES: CCCCCCCCCCCCCCC[13C](=O)O
• 代替CAS番号: 57-10-3（Unlabeled）
• 分子量: 257.42
• Reaxy-Rn: 607489
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607489&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: 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: 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
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

化学的性質と物理的性質

• 感度: Light sensitive；Moisture sensitive
• 沸点（°C）: 271.5° C (lit.) at 100 mmHg
• 融点（°C）: 61-64°C
• 分子量: 257.420 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 257.244 Da
• Monoisotopic Mass: 257.244 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 178.000
• Isotope Atom Count: 1
• 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

よくある質問

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥99 atom% carbon-13. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 57677-53-9, the molecular formula is (13C)C15H32O2, and the molecular weight is 257.42 g/mol. InChIKey IPCSVZSSVZVIGE-LOYIAQTISA-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.