Leukotriene A4 methyl ester - ≥95% , CAS No.73466-12-3

CAS: 73466-12-3 Cat. No.: L275403 Molecular Weight: 332.48 PubChem CID: 6478221

GRADE & PURITY ≥95%

Synonyms

SR-01000946885-1 | LTA4-methyl ester | SR-01000946885 | Leukotriene A4 methyl ester | LTA4 methyl ester | methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate | 2-Oxiranebutanoic acid, 3-[(1E,3E,5Z,8Z)-1,3,5,8-tetradecatetr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C.

Specifications

Synonyms

SR-01000946885-1 | LTA4-methyl ester | SR-01000946885 | Leukotriene A4 methyl ester | LTA4 methyl ester | methyl 4-[(2S, 3S)-3-[(1E, 3E, 5Z, 8Z)-tetradeca-1, 3, 5, 8-tetraenyl]oxiran-2-yl]butanoate | 2-Oxiranebutanoic acid, 3-[(1E, 3E, 5Z, 8Z)-1, 3, 5, 8-tetradecatetr

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC=CC=CC=CC1C(O1)CCCC(=O)OC
• IUPAC Name: methyl 4-[(2S,3S)-3-[(1E,3E,5Z,8Z)-tetradeca-1,3,5,8-tetraenyl]oxiran-2-yl]butanoate
• InChIKey: WTKAVFHPLJFCMZ-NIBLXIPLSA-N
• INCHI: 1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-20(24-19)17-15-18-21(22)23-2/h7-8,10-14,16,19-20H,3-6,9,15,17-18H2,1-2H3/b8-7-,11-10-,13-12+,16-14+/t19-,20-/m0/s1
• Isomeric SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)OC
• PubChem CID: 6478221
• Molecular Weight: 332.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

Chemical and Physical Properties

• Solubility: Supplied in 2% triethylamine/hexane (1 mg/ml)
• Molecular Weight: 332.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 332.235 Da
• Monoisotopic Mass: 332.235 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 446.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1