cis-13-Eicosenoic acid - 10 mM in DMSO , CAS No.17735-94-3

CAS: 17735-94-3 Cat. No.: C759982 분자식: C₂₀H₃₈O₂ 분자량: 310.51

GRADE & PURITY 10 mM in DMSO

Synonyms

paullinic acid | MS-24525 | (13Z)-eicos-13-enoic acid | Q2707986 | cis-13-eicosenoic acid | C20:1n-7 | 13-Eicosenoic acid, (13Z)- | SCHEMBL314774 | CHEBI:134479 | UNII-CCL3CM45AT | (Z)-13-Eicosenoic acid | C21946 | DTXSID80402624 | Paullinic acid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

cis-13-Eicosenoic acid is an ω-7 fatty acid

Specifications

동의어

paullinic acid | MS-24525 | (13Z)-eicos-13-enoic acid | Q2707986 | cis-13-eicosenoic acid | C20:1n-7 | 13-Eicosenoic acid, (13Z)- | SCHEMBL314774 | CHEBI:134479 | UNII-CCL3CM45AT | (Z)-13-Eicosenoic acid | C21946 | DTXSID80402624 | Paullinic acid

사양 및 순도

10 mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

정식 스마일

CCCCCC/C=C\CCCCCCCCCCCC(O)=O

IUPAC Name

(Z)-icos-13-enoic acid

InChIKey

URXZXNYJPAJJOQ-FPLPWBNLSA-N

INCHI

1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h7-8H,2-6,9-19H2,1H3,(H,21,22)/b8-7-

이성체 SMILES

CCCCCC/C=C\CCCCCCCCCCCC(=O)O

분자량

310.51

Reaxy-Rn

1876064

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1876064&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated 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
• 설명: 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: Unsaturated fatty acids

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

• 끓는점(°C): ~426.3° C at 760 mmHg (Predicted)
• 녹는점(°C): 149.21° C (Predicted)
• 분자량: 310.500 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 310.287 Da
• Monoisotopic Mass: 310.287 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 258.000
• 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

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 17735-94-3, the molecular formula is C20H38O2, and the molecular weight is 310.51 g/mol. InChIKey URXZXNYJPAJJOQ-FPLPWBNLSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.