Phytomonic Acid - Moligand™,≥98% , CAS No.503-06-0

CAS: 503-06-0 Cat. No.: P350767 Molecular Weight: 296.49

GRADE & PURITY Moligand™, ≥98%

Synonyms

10-(2-Hexylcyclopropyl)decanoic acid | Q27131091 | CHEBI:61456 | SCHEMBL524999 | cis-11,12-Methyleneoctadecanoic acid | DTXSID10964568 | Decanoic acid, 10-(2-hexylcyclopropyl) | 11,12-Methylenoctadecansaeure | IJKRDVKGCQRKBI-UHFFFAOYSA-N | Cyclopropanedec

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Phytomonic acid is a long-chain fatty acid containing a cyclopropane ring produced by Lactobacillus reuteri. Lactobacilli that normally produce Lactobacillic acid also have the ability to resist TNF-α.

Specifications

Synonyms

10-(2-Hexylcyclopropyl)decanoic acid | Q27131091 | CHEBI:61456 | SCHEMBL524999 | cis-11, 12-Methyleneoctadecanoic acid | DTXSID10964568 | Decanoic acid, 10-(2-hexylcyclopropyl) | 11, 12-Methylenoctadecansaeure | IJKRDVKGCQRKBI-UHFFFAOYSA-N | Cyclopropanedec

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCC1CC1CCCCCCCCCC(=O)O
• IUPAC Name: 10-(2-hexylcyclopropyl)decanoic acid
• InChIKey: IJKRDVKGCQRKBI-UHFFFAOYSA-N
• INCHI: 1S/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
• Isomeric SMILES: CCCCCCC1CC1CCCCCCCCCC(=O)O
• Molecular Weight: 296.49

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: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Medium-chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic 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: long-chain fatty acid - carbocyclic fatty acid - saturated fatty acid

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

• Solubility: Soluble in DMSO (~20 mg/ml), DMF (~20 mg/ml), and 1: 1 solution of ethanol: PBS (pH 7.2) (~0.5 mg/ml).
• Refractive Index: n20D~1.47 (Predicted)
• Boil Point(°C): 78° C
• Molecular Weight: 296.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 296.272 Da
• Monoisotopic Mass: 296.272 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Chen Maoshuang, Ayaz Pirah, Xiao Yuanxiang, Li Yong, Wang Pei, Huang Wenjia, Zhao Shujun, Fu Feiya, Liu Xiangdong, Xiang Shuangfei.  (2023)  Hydrophobic, fireproof, UV-blocking and antibacterial cotton fabric activated by bio-based PA/ODA/TiO2.  CELLULOSE,  30  (7): (4713-4733).  [PMID:] [10.1007/s10570-023-05146-3]