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

CAS: 98168-52-6 Cat. No.: D352763 분자식: C₃₉H₇₂O₅ 분자량: 620.99

GRADE & PURITY ≥95%

Synonyms

[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate | 2-Hydroxy-3-[(9E)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate # | DG(18:1(9E)/0:0/18:1(9E)) | (9E,9'E)-2-hydroxypropane-1,3-diyl dioctadec-9-enoate | SCHEMBL2733309 | 9-Octadecenoic aci

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Product description:

1,3-Dielaidoyl glycerol is a diacylglycerol that contains elaidic acid at the sn-1 and sn-3 positions.

Applications:

1,3-Dielaidin is used to prepare symmetrical cationic triglycerides applicable to gene transfer.

Specifications

동의어

[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate | 2-Hydroxy-3-[(9E)-9-octadecenoyloxy]propyl (9E)-9-octadecenoate # | DG(18:1(9E)/0:0/18:1(9E)) | (9E,9'E)-2-hydroxypropane-1,3-diyl dioctadec-9-enoate | SCHEMBL2733309 | 9-Octadecenoic aci

사양 및 순도

≥95%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

504763573

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763573

정식 스마일

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+

이성체 SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC

분자량

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
    • 분류 Glycerolipids
      • Subclass Diradylglycerols
        • Level5 Diacylglycerols
          • Level6 1,3-diacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Chloroform: slightly soluble,Ethyl Acetate: slightly soluble
• 분자량: 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

자주 묻는 질문

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.