Methyl palmitelaidate - analytical standard, 1g in 10ml EtOH , CAS No.10030-74-7

CAS: 10030-74-7 Cat. No.: M115169 분자식: C₁₇H₃₂O₂ 분자량: 268.43 EC 번호: 627-038-6

등급 & 순도 Analytical standard, 1g in 10ml EtOH

Synonyms

methyl hexadec-9-enoate | (E)-9-Hexadecenoic acid methyl ester | IZFGRAGOVZCUFB-CMDGGOBGSA-N | Palmitelaidic acid-methyl ester | methyl (9E)-hexadec-9-enoate | methyl (E)-hexadec-9-enoate | 9-Hexadecenoic acid, (E), methyl ester | 9-Hexadecenoic acid, met

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

사양

동의어

methyl hexadec-9-enoate | (E)-9-Hexadecenoic acid methyl ester | IZFGRAGOVZCUFB-CMDGGOBGSA-N | Palmitelaidic acid-methyl ester | methyl (9E)-hexadec-9-enoate | methyl (E)-hexadec-9-enoate | 9-Hexadecenoic acid, (E), methyl ester | 9-Hexadecenoic acid, met

사양 및 순도

analytical standard, 1g in 10ml EtOH

생화학 및 생리적 메커니즘

Monounsaturated fatty acid methyl ester. Possible cytoprotective, anti-inflammatory and antifibrotic effects. Use in lipid studies and as internal standard.

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

분석 표준물질

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

이름과 식별자

Pubchem Sid

528770267

정식 스마일

CCCCCCC=CCCCCCCCC(=O)OC

IUPAC Name

methyl (E)-hexadec-9-enoate

InChIKey

IZFGRAGOVZCUFB-CMDGGOBGSA-N

INCHI

1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+

이성체 SMILES

CCCCCC/C=C/CCCCCCCC(=O)OC

분자량

268.43

Reaxy-Rn

9565700

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9565700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

화학 및 물리적 특성

• 감도: light and air sensitive
• 분자량: 268.400 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 268.24 Da
• Monoisotopic Mass: 268.24 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1