L319 - Moligand™, ≥98% , CAS No.1351586-50-9

CAS: 1351586-50-9 Cat. No.: L648469 分子式: C₄₁H₇₅NO₆ 分子量: 678.04

GRADE & PURITY Moligand™, ≥98%

Synonyms

Di((Z)-Non-2-en-1-yl) 9-((4-(dimethylamino)butanoyl)oxy)heptadecanedioate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

同義語

Di((Z)-Non-2-en-1-yl) 9-((4-(dimethylamino)butanoyl)oxy)heptadecanedioate

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

L319 is an ionizable cationic lipidoid and can be used for synthetic liposomes

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• パブケム・シド: 528765262
• カノニカル・スマイル: CCCCCCC=CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCC=CCCCCCC)OC(=O)CCCN(C)C
• IUPAC Name: bis[(Z)-non-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate
• InChIKey: DGNMJYUPWDTKJB-ZDSKVHJSSA-N
• INCHI: 1S/C41H75NO6/c1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2/h21-22,27-28,38H,5-20,23-26,29-37H2,1-4H3/b27-21-,28-22-
• 異性体SMILES: CCCCCC/C=C\COC(=O)CCCCCCCC(OC(=O)CCCN(C)C)CCCCCCCC(=O)OC/C=C\CCCCCC
• 分子量: 678.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters
        • Level5 Wax esters
          • Level6 Wax monoesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Wax esters
• Direct Parent: Wax monoesters
• Alternative Parents: Tricarboxylic acids and derivatives Trialkylamines Carboxylic acid esters Amino acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Wax monoester skeleton - Tricarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as wax monoesters. These are waxes bearing an ester group at exactly one position.
• 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

• 溶解度: DMSO : 100 mg/mL (147.48 mM; Need ultrasonic)
• 分子量: 678.000 g/mol
• XLogP3: 12.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 38
• Exact Mass: 677.559 Da
• Monoisotopic Mass: 677.559 Da
• Topological Polar Surface Area: 82.100 Ų
• Heavy Atom Count: 48
• Formal Charge: 0
• Complexity: 757.000
• 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