Lauric-d₂₃ acid - ≥98 atom% D,≥98% , CAS No.59154-43-7

CAS: 59154-43-7 Cat. No.: L464644 Formula: C₁₂HD₂₃O₂ Molecular Weight: 223.46 EC Number: 106-332-3

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acid|(~2~H_23_)Dodecanoic acid|Lauric-d23 acid|lauric acid-d23|Dodecanoic-d23 acid

Storage

Protected from light,Room temperature

Shipped In

Normal

Overview

Lauric acid-d23 is the deuterium labeled Lauric acid. Lauric acid is a middle chain-free fatty acid with strong bactericidal properties. The EC50s for P. acnes, S.aureus, S. epidermidis, are 2, 6, 4 μg/mL, respectively.

Specifications

Synonyms

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acid | (~2~H_23_)Dodecanoic acid | Lauric-d23 acid | lauric acid-d23 | Dodecanoic-d23 acid

Specifications & Purity

≥98 atom% D,≥98%

Storage

Protected from light,Room temperature

Shipped In

Normal

Purity

≥98 atom% D,≥98%

Names and Identifiers

Pubchem Sid

488199177

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199177

Canonical Smiles

CCCCCCCCCCCC(=O)O

IUPAC Name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosadeuteriododecanoic acid

InChIKey

POULHZVOKOAJMA-SJTGVFOPSA-N

INCHI

1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/i1D3,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2

Isomeric SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O

Alternate CAS

143-07-7（Unlabeled）

Molecular Weight

223.46

Reaxy-Rn

1099477

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099477&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive；Light sensitive
• Boil Point(°C): 225° C (lit.) at 100 mmHg
• Melt Point(°C): 44-46° C (lit.)
• Molecular Weight: 223.460 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 223.322 Da
• Monoisotopic Mass: 223.322 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 132.000
• Isotope Atom Count: 23
• Defined Atom Stereocenter Count: 0
• 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