rac α-Lipoic Acid-d5 , CAS No.1189471-66-6

CAS: 1189471-66-6 Cat. No.: R345693 Fórmula: C₈H₉D₅O₂S₂ Peso molecular: 211.36

Synonyms

(+/-)-1,2-Dithiolane-3-pentanoic Acid-d5 | rac ?-Lipoic Acid-d5 | DTXSID80675992 | rac alpha -Lipoic Acid-d5 | 5,5-dideuterio-5-(3,4,4-trideuteriodithiolan-3-yl)pentanoic acid | HY-N0492S | 1189471-66-6 | 5-[(3,4,4-~2~H_3_)-1,2-Dithiolan-3-yl](5,5-~2~H_2_

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(+/-)-1,2-Dithiolane-3-pentanoic Acid-d5 | rac ?-Lipoic Acid-d5 | DTXSID80675992 | rac alpha -Lipoic Acid-d5 | 5,5-dideuterio-5-(3,4,4-trideuteriodithiolan-3-yl)pentanoic acid | HY-N0492S | 1189471-66-6 | 5-[(3,4,4-~2~H_3_)-1,2-Dithiolan-3-yl](5,5-~2~H_2_

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

• Sorrisos canónicos: C1CSSC1CCCCC(=O)O
• IUPAC Name: 5,5-dideuterio-5-(3,4,4-trideuteriodithiolan-3-yl)pentanoic acid
• InChIKey: AGBQKNBQESQNJD-KEDGJJNOSA-N
• INCHI: 1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/i3D2,5D2,7D
• SMILES isoméricas: [2H]C1(CSSC1([2H])C([2H])([2H])CCCC(=O)O)[2H]
• Peso molecular: 211.36
• Reaxy-Rn: 81853
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dithiolanes
      • Subclass Lipoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dithiolanes
• Subclass: Lipoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lipoic acids and derivatives
• Alternative Parents: Medium-chain fatty acids Thia fatty acids Heterocyclic fatty acids 1,2-dithiolanes Organic disulfides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Lipoic_acid_derivative - Medium-chain fatty acid - Heterocyclic fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - 1,2-dithiolane - Organic disulfide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Chloroform, Dimethyl Sulfoxide and Methanol
• Ponto de fusão (°C): 52-53° C
• Peso molecular: 211.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 211.075 Da
• Monoisotopic Mass: 211.075 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 5
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 1189471-66-6, the molecular formula is C8H9D5O2S2, and the molecular weight is 211.36 g/mol. InChIKey AGBQKNBQESQNJD-KEDGJJNOSA-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.