(5S,12S)-Dihydroxy-(6E,8E,10E,14Z)-eicosatetraenoic acid - ≥98%, ~100μg/mL in ethanol , CAS No.73151-67-4

CAS: 73151-67-4 Cat. No.: S465077 Molecular Weight: 336.5 EC Number: 633-325-7

GRADE & PURITY ≥98%, ~100μg/mL in ethanol

Synonyms

5,12-dihydroxyeicosa-6,8,10,14-tetraenoic acid | FT-0641355 | FT-0641358 | starbld0003804 | 12-Epi leukotriene B4 | DTXSID40860923 | FT-0643029 | LTB4;5(S),12(R)-DiHETE | Q2704449 | FT-0641916 | FT-0604833 | 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5, 12-dihydroxyeicosa-6, 8, 10, 14-tetraenoic acid | FT-0641355 | FT-0641358 | starbld0003804 | 12-Epi leukotriene B4 | DTXSID40860923 | FT-0643029 | LTB4;5(S), 12(R)-DiHETE | Q2704449 | FT-0641916 | FT-0604833 | 5, 12-dihydroxyicosa-6, 8, 10, 14-tetraenoic acid |

Specifications & Purity

≥98%, ~100μg/mL in ethanol

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

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
• IUPAC Name: 5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
• InChIKey: VNYSSYRCGWBHLG-UHFFFAOYSA-N
• INCHI: 1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)
• Isomeric SMILES: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
• Molecular Weight: 336.5
• Reaxy-Rn: 14529478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14529478&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Leukotrienes
• Alternative Parents: Hydroxyeicosatetraenoic acids Long-chain fatty acids Hydroxy fatty acids Unsaturated fatty acids Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Leukotriene - Hydroxyeicosatetraenoic acid - Long-chain fatty acid - Hydroxy fatty acid - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as leukotrienes. These are eicosanoids containing a hydroxyl group attached to the aliphatic chain of an arachidonic acid. Leukotrienes have four double bonds, three (and only three) of which are conjugated.
• 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

• Boil Point(°C): 78° C at 760 mmHg
• Molecular Weight: 336.500 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 336.23 Da
• Monoisotopic Mass: 336.23 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 421.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 4
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1