(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 Peso molecular: 336.5 Número EC: 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

Sinónimos

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 |

Especificaciones y pureza

≥98%, ~100μg/mL in ethanol

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)O)O)O
• Peso molecular: 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
    • Clase Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 78° C at 760 mmHg
• Peso molecular: 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