DL-α-Lipoic Acid-NHS - ≥96% , CAS No.40846-94-4

CAS: 40846-94-4 Cat. No.: A339873 Peso molecular: 303.4

GRADE & PURITY ≥96%

Synonyms

1-{[5-(1,2-dithiolan-3-yl)pentanoyl]oxy}pyrrolidine-2,5-dione | Thioctic acid N-hydroxysuccinimide ester | AS-72152 | DL-alpha-Lipoic acid NHS | ALPHA-LIPOICACID-NHS | SCHEMBL2633200 | A1-03868 | (2,5-dioxopyrrolidin-1-yl) 5-(dithiolan-3-yl)pentanoate | B

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1-{[5-(1, 2-dithiolan-3-yl)pentanoyl]oxy}pyrrolidine-2, 5-dione | Thioctic acid N-hydroxysuccinimide ester | AS-72152 | DL-alpha-Lipoic acid NHS | ALPHA-LIPOICACID-NHS | SCHEMBL2633200 | A1-03868 | (2, 5-dioxopyrrolidin-1-yl) 5-(dithiolan-3-yl)pentanoate | B

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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

≥96%

Nombres e identificadores

• Pubchem Sid: 488201566
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201566
• Sonrisas canónicas: C1CSSC1CCCCC(=O)ON2C(=O)CCC2=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 5-(dithiolan-3-yl)pentanoate
• InChIKey: WBCUIGFYTHUQHZ-UHFFFAOYSA-N
• INCHI: 1S/C12H17NO4S2/c14-10-5-6-11(15)13(10)17-12(16)4-2-1-3-9-7-8-18-19-9/h9H,1-8H2
• Isómeros SMILES: C1CSSC1CCCCC(=O)ON2C(=O)CCC2=O
• Peso molecular: 303.4
• Reaxy-Rn: 9413052
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9413052&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dithiolanes
• Subclass: Lipoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lipoic acids and derivatives
• Alternative Parents: Pyrrolidine-2-ones Dicarboximides 1,2-dithiolanes Organic disulfides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Lipoic_acid_derivative - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - 1,2-dithiolane - Organic disulfide - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light，Moisture and Heat sensitive
• Punto de fusión (°C): 91.0 to 95.0 °C
• Peso molecular: 303.400 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 303.06 Da
• Monoisotopic Mass: 303.06 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 359.000
• Isotope Atom Count: 0
• 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