Monocaprylin - 10mM in DMSO , CAS No.26402-26-6

CAS: 26402-26-6 Cat. No.: M422935 Summenformel: C₁₁H₂₂O₄ Molekulargewicht: 218.29 Beilstein Registry Number: 2(2)303 EG-Nummer: 247-668-1

GRADE & PURITY 10mM in DMSO

Synonyms

(+-)-1-octanoylglycerol | Poem M 100 | 1-Monocapryloyl-rac-glycerol | Caprylic acid monoglyceride | 1-Monooctanoylglycerol | GHBFNMLVSPCDGN-UHFFFAOYSA-N | MLS000028614 | Octanoic acid, 2,3-dihydroxypropyl ester, (A+/-)- | Tox21_112338_1 | (S)-3,3,3-TRIFLU

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

(+-)-1-octanoylglycerol | Poem M 100 | 1-Monocapryloyl-rac-glycerol | Caprylic acid monoglyceride | 1-Monooctanoylglycerol | GHBFNMLVSPCDGN-UHFFFAOYSA-N | MLS000028614 | Octanoic acid, 2,3-dihydroxypropyl ester, (A+/-)- | Tox21_112338_1 | (S)-3,3,3-TRIFLU

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528770323

Kanonisches Lächeln

CCCCCCCC(=O)OCC(CO)O

IUPAC Name

2,3-dihydroxypropyl octanoate

InChIKey

GHBFNMLVSPCDGN-UHFFFAOYSA-N

INCHI

1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3

Isomere SMILES

CCCCCCCC(=O)OCC(CO)O

Molekulargewicht

218.29

Beilstein

2(2)303

Reaxy-Rn

1724525

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1724525&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Glycerolipids
      • Subclass Monoradylglycerols
        • Ebene5 Monoacylglycerols
          • Ebene6 1-monoacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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: octanoate ester - 1-monoglyceride

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

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Plasmodium falciparum (966862 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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FTL Ferritin light chain (43324 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 41 °C
• Molekulargewicht: 218.290 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 218.152 Da
• Monoisotopic Mass: 218.152 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 159.000
• 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