Palmitic acid-1-(¹³C) - ≥99 atom% 13C , CAS No.57677-53-9

CAS: 57677-53-9 Cat. No.: P346808 Peso molecular: 257.42 Número EC: 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

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Application：
Lipidomics, Metabolism, Metabolomics

Specifications

Sinónimos

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-

Especificaciones y pureza

≥99 atom% 13C

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99 atom% 13C

Nombres e identificadores

• Pubchem Sid: 504765036
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765036
• Sonrisas canónicas: 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
• Isómeros SMILES: CCCCCCCCCCCCCCC[13C](=O)O
• CAS alternativo: 57-10-3（Unlabeled）
• Peso molecular: 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
    • 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: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Punto de ebullición (°C): 271.5° C (lit.) at 100 mmHg
• Punto de fusión (°C): 61-64°C
• Peso molecular: 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