1,3-Delaidin - ≥95% , CAS No.98168-52-6

CAS: 98168-52-6 Cat. No.: D352763 Summenformel: C₃₉H₇₂O₅ Molekulargewicht: 620.99

GRADE & PURITY ≥95%

Synonyms

[2-Hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoat | 2-Hydroxy-3-[(9E)-9-octadecenoyloxy]propyl (9E)-9-octadecenoat # | DG(18:1(9E)/0:0/18:1(9E)) | (9E,9'E)-2-Hydroxypropan-1,3-diyl dioctadec-9-enoat | SCHEMBL2733309 | 9-Octadecensäure

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

Beschreibung des Produkts:

1,3-Dielaidoylglycerin ist ein Diacylglycerin, das an den Positionen sn-1 und sn-3 Elaidinsäure enthält.

Anwendungen:

1,3-Dielaidin wird zur Herstellung symmetrischer kationischer Triglyceride für den Gentransfer verwendet.

Specifications

Synonyme

[2-Hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoat | 2-Hydroxy-3-[(9E)-9-octadecenoyloxy]propyl (9E)-9-octadecenoat # | DG(18:1(9E)/0:0/18:1(9E)) | (9E,9'E)-2-Hydroxypropan-1,3-diyl dioctadec-9-enoat | SCHEMBL2733309 | 9-Octadecensäure

Spezifikationen & Reinheit

≥95%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504763573
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763573
• Kanonisches Lächeln: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)O
• IUPAC Name: [2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
• InChIKey: DRAWQKGUORNASA-XPWSMXQVSA-N
• INCHI: 1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17+,20-18+
• Isomere SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC
• Molekulargewicht: 620.99
• Reaxy-Rn: 1730340
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Glycerolipids
      • Subclass Diradylglycerols
        • Ebene5 Diacylglycerols
          • Ebene6 1,3-diacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Glycerolipids
• Subclass: Diradylglycerols
• Intermediate Tree Nodes: Diacylglycerols
• Direct Parent: 1,3-diacylglycerols
• Alternative Parents: Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform: slightly soluble,Ethyl Acetate: slightly soluble
• Molekulargewicht: 621.000 g/mol
• XLogP3: 14.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 36
• Exact Mass: 620.538 Da
• Monoisotopic Mass: 620.538 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 615.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Referenzen

1. Yingjie Lu, Yuqi Cao, Danqing Chen, Yaobin Zhou, Li Zhang, Yue Su, Yinlong Guo.  (2022)  An online derivatization strategy targeting carbon–carbon double bonds by laser-ablation carbon fiber ionization mass spectrometry imaging: Unraveling the spatial characteristic in mountain-cultivated ginseng and garden-cultivated ginseng with different ages.  FOOD CHEMISTRY,      [PMID:36608558] [10.1016/j.foodchem.2022.135365]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 98168-52-6, the molecular formula is C39H72O5, and the molecular weight is 620.99 g/mol. InChIKey DRAWQKGUORNASA-XPWSMXQVSA-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.