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

CAS: 26402-26-6 Cat. No.: M422935 分子式: C₁₁H₂₂O₄ 分子量: 218.29 Beilstein Registry Number: 2(2)303 EC番号: 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

同義語

(+-)-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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528770323

カノニカル・スマイル

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

異性体SMILES

CCCCCCCC(=O)OCC(CO)O

分子量

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
    • 分類 Glycerolipids
      • Subclass Monoradylglycerols
        • Level5 Monoacylglycerols
          • Level6 1-monoacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 41 °C
• 分子量: 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