2-Hydroxyadipic acid - Moligand™, ≥98% , CAS No.18294-85-4

CAS: 18294-85-4 Cat. No.: H693815 Formula: C₆H₁₀O₅ Peso molecolare: 162.14 PubChem CID: 193530

GRADE & PURITY Moligand™, ≥98%

Synonyms

C02360 | 2-Hydroxy-Hexanedioic Acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

2-Hydroxyadipic acid is an organic acid, formed by the reduction of 2-ketoadipic acid

Specifications

Sinonimi

C02360 | 2-Hydroxy-Hexanedioic Acid

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Purezza

≥98%

Proprietà del prodotto

• ALogP: -0.6

Nomi e identificatori

• Sorrisi canonici: C(CC(C(=O)O)O)CC(=O)O
• IUPAC Name: 2-hydroxyhexanedioic acid
• InChIKey: OTTXIFWBPRRYOG-UHFFFAOYSA-N
• INCHI: 1S/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
• Isomeri SMILES: C(CC(C(=O)O)O)CC(=O)O
• PubChem CID: 193530
• Peso molecolare: 162.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Hydroxy fatty acids Monosaccharides Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Secondary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Hydroxy fatty acid - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Alpha-hydroxy acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic oxide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Dicarboxylic acids

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

Proprietà chimiche e fisiche

• Peso molecolare: 162.140 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 162.053 Da
• Monoisotopic Mass: 162.053 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• 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