Orlistat open ring epimer - ≥95% , CAS No.130793-28-1

CAS: 130793-28-1 Cat. No.: O1294836 Fórmula: C₂₉H₅₅NO₆ Peso molecular: 513.75 Número CE: 112-184-0 PubChem CID: 59434860

GRAU & PUREZA ≥95%

Storage

Room temperature

Shipped In

Normal

Especificações

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC(=O)C(CC(C)C)NC=O

IUPAC Name

(2S,3R,5S)-5-[(2S)-2-formamido-4-methylpentanoyl]oxy-2-hexyl-3-hydroxyhexadecanoic acid

InChIKey

FKUNIADJSAJLGB-YIPNQBBMSA-N

INCHI

1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27+/m0/s1

SMILES isoméricas

CCCCCCCCCCC[C@@H](C[C@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O

PubChem CID

59434860

Peso molecular

513.75

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: Long-chain fatty acids
• Alternative Parents: Leucine and derivatives Alpha amino acid esters N-formyl-alpha amino acids Amino fatty acids Beta hydroxy acids and derivatives Branched fatty acids Fatty acid esters Hydroxy fatty acids Dicarboxylic acids and derivatives Secondary carboxylic acid amides Carboxylic acid esters Secondary alcohols Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Leucine or derivatives - Long-chain fatty acid - Alpha-amino acid ester - N-formyl-alpha amino acid or derivatives - N-formyl-alpha-amino acid - Alpha-amino acid or derivatives - Amino fatty acid - Beta-hydroxy acid - Branched fatty acid - Fatty acid ester - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Hydroxy acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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

• Peso molecular: 513.700 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 25
• Exact Mass: 513.403 Da
• Monoisotopic Mass: 513.403 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 568.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• 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

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 130793-28-1, the molecular formula is C29H55NO6, and the molecular weight is 513.75 g/mol. InChIKey FKUNIADJSAJLGB-YIPNQBBMSA-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.