Monocaprin - ≥98%(GC) , CAS No.26402-22-2

CAS: 26402-22-2 Cat. No.: M158395 Formule: C₁₃H₂₆O₄ Poids moléculaire: 246.35 Numéro CE: 247-667-6

GRADE & PURITY ≥98%(GC)

Synonyms

MAG 10:0 | BDBM50357392 | HI-Z | rac-1-monocaprylglycerol | SCHEMBL25295 | HMS2231D08 | MLS000069539 | 197M6VFC1W | .alpha.-Monocaprin | Apigenin-7-O-neohesperidoside | Monodecanoin | Decanoic acid, monoester with glycerol | MONOCTANOIN COMPONENT B | Glyc

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Monocaprin (glycerol monocaprate) is used in the development of antimicrobial disinfectants active against enveloped viruses, and certain yeast and bacteria such as candida albicans and campylobacter.

Specifications

Synonymes

MAG 10:0 | BDBM50357392 | HI-Z | rac-1-monocaprylglycerol | SCHEMBL25295 | HMS2231D08 | MLS000069539 | 197M6VFC1W | .alpha.-Monocaprin | Apigenin-7-O-neohesperidoside | Monodecanoin | Decanoic acid, monoester with glycerol | MONOCTANOIN COMPONENT B | Glyc

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504756151

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756151

Sourires canoniques

CCCCCCCCCC(=O)OCC(CO)O

IUPAC Name

2,3-dihydroxypropyl decanoate

InChIKey

LKUNXBRZDFMZOK-UHFFFAOYSA-N

INCHI

1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3

Isomères SMILES

CCCCCCCCCC(=O)OCC(CO)O

CAS alternatif

2277-23-8

Poids moléculaire

246.35

Reaxy-Rn

1725689

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1725689&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Glycerolipids
      • Subclass Monoradylglycerols
        • Level5 Monoacylglycerols
          • Level6 1-monoacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Monoacylglycerols
• Direct Parent: 1-monoacylglycerols
• Alternative Parents: Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
• External Descriptors: rac-1-monoacylglycerol

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

Cibles associées (humaines)

DUSP3 Tchem Dual specificity protein phosphatase 3 (1161 Activities)

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PTPN7 Tchem Protein-tyrosine phosphatase LC-PTP (886 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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GMNN Tbio Geminin (128009 Activities)

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Cibles associées (non humaines)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Abcb1b P-glycoprotein 1 (174 Activities)

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FTL Ferritin light chain (43324 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Point de fusion (°C): 53 °C
• Poids moléculaire: 246.340 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 246.183 Da
• Monoisotopic Mass: 246.183 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 182.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 26402-22-2, the molecular formula is C13H26O4, and the molecular weight is 246.35 g/mol. InChIKey LKUNXBRZDFMZOK-UHFFFAOYSA-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.