GRADE & PURITY ≥99 atom%,≥98%

Synonyms

AKOS040755637 | PD130907 | Tricaprylin, C-13 | Octanoic-1-13c acid,1,1',1''-(1,2,3-propanetriyl)ester | Octanoic-1-13c acid, 1,1',1''-(1,2,3-propanetriyl) ester | 1,2,3-Propanetriol tris(octanoate-1-¹³C) | 1,2,3-Trioctanoyl-rac-glycerol-13C3 | Octanoic-1-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Tricaprilin-13C3 (Trioctanoin-13C3) is a 13C-labeled Tricaprilin . Tricaprilin is an orally active and well tolerated ketogenic agent that safely induces ketosis. Tricaprilin restores brain electrical activity and metabolism to help counteract neuroinflammation in migraine. Tricaprilin is promising for research of migraine prevention and Alzheimer’s disease (AD). Tricaprilin is a pure C8 medium chain triglyceride (MCT).

Purpose：

Lipidomics, Metabolism, Metabolomics

Specifications

Sinónimos

AKOS040755637 | PD130907 | Tricaprylin, C-13 | Octanoic-1-13c acid, 1, 1', 1''-(1, 2, 3-propanetriyl)ester | Octanoic-1-13c acid, 1, 1', 1''-(1, 2, 3-propanetriyl) ester | 1, 2, 3-Propanetriol tris(octanoate-1-¹³C) | 1, 2, 3-Trioctanoyl-rac-glycerol-13C3 | Octanoic-1-

Especificaciones y pureza

≥99 atom%, ≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C

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%, ≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
• IUPAC Name: 2,3-di((113C)octanoyloxy)propyl (113C)octanoate
• InChIKey: VLPFTAMPNXLGLX-UTXJEHKQSA-N
• INCHI: 1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1
• Isómeros SMILES: CCCCCCC[13C](=O)OCC(CO[13C](=O)CCCCCCC)O[13C](=O)CCCCCCC
• WGK Alemania: 3
• CAS alternativo: 538-23-8（Unlabeled）
• Peso molecular: 473.66
• Reaxy-Rn: 1717202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1717202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerolipids
      • Subclass Triradylcglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerolipids
• Subclass: Triradylcglycerols
• Intermediate Tree Nodes: Not available
• Direct Parent: Triacylglycerols
• Alternative Parents: Tricarboxylic acids and derivatives Fatty acid esters Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Triacyl-sn-glycerol - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid ester - 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 triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
• 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
• Índice de refracción: 1.447
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113°C
• Peso molecular: 473.700 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 26
• Exact Mass: 473.371 Da
• Monoisotopic Mass: 473.371 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 461.000
• Isotope Atom Count: 3
• 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