Melt Flow Rate（PP） - melt index:20.71g/10min , CAS No.9003-07-0

CAS: 9003-07-0 Cat. No.: P119571 分子式: [CH₂CH(CH₃)]_n EC番号: 618-352-4

GRADE & PURITY melt index:20.71g/10min

Synonyms

9003-07-0|12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid|Oxiranedodecanoic acid, 3-octyl-, cis-|cis-13,14-Epoxydocosanoic acid|2-Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel-|N-Fmoc-5-aminolevulinicacid|Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel-|NSYD

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

9003-07-0 | 12-[(2s,3r)-3-octyloxiran-2-yl]dodecanoic acid | Oxiranedodecanoic acid, 3-octyl-, cis- | cis-13,14-Epoxydocosanoic acid | 2-Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel- | N-Fmoc-5-aminolevulinicacid | Oxiranedodecanoic acid, 3-octyl-, (2R,3S)-rel- | NSYD

仕様と純度

melt index:20.71g/10min

保管条件

Room temperature

入荷

Normal

名前と識別子

• パブケム・シド: 528773158
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/528773158
• カノニカル・スマイル: CCCCCCCCC1C(O1)CCCCCCCCCCCC(=O)O
• IUPAC Name: 12-[(2S,3R)-3-octyloxiran-2-yl]dodecanoic acid
• InChIKey: NSYDMBURIUSUDH-RTWAWAEBSA-N
• INCHI: 1S/C22H42O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h20-21H,2-19H2,1H3,(H,23,24)/t20-,21+/m1/s1
• 異性体SMILES: CCCCCCCC[C@@H]1[C@@H](O1)CCCCCCCCCCCC(=O)O
• Reaxy-Rn: 87459
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=87459&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Epoxy fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Long-chain fatty acid - Epoxy fatty acid - Heterocyclic fatty acid - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 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

化学的性質と物理的性質

• 分子量: 354.600 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 354.313 Da
• Monoisotopic Mass: 354.313 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 316.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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