Stearyl arachidate - ≥99% , CAS No.22432-79-7

CAS: 22432-79-7 Cat. No.: S352339 분자식: C₃₈H₇₆O₂ 분자량: 565.01 PubChem CID: 89710

GRADE & PURITY ≥99%

Synonyms

LMFA07010057 | HY-W127418 | Arachidic acid stearyl ester | Octadecyl eicosanoate | Heptadecyl arachidate | STEARYLARACHIDATE | Eicosanoic acid,octadecyl ester | Octadecyl icosanoate # | J-014713 | stearyl eicosanoate | DTXSID0066797 | EINECS 244-994-6 | Q

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

LMFA07010057 | HY-W127418 | Arachidic acid stearyl ester | Octadecyl eicosanoate | Heptadecyl arachidate | STEARYLARACHIDATE | Eicosanoic acid,octadecyl ester | Octadecyl icosanoate # | J-014713 | stearyl eicosanoate | DTXSID0066797 | EINECS 244-994-6 | Q

사양 및 순도

≥99%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

Pubchem Sid

504755997

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755997

정식 스마일

CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC

IUPAC Name

octadecyl icosanoate

InChIKey

XPRSWAIUFMEQLF-UHFFFAOYSA-N

INCHI

1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3

이성체 SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC

PubChem CID

89710

분자량

565.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters
        • Level5 Wax esters
          • Level6 Wax monoesters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Wax esters
• Direct Parent: Wax monoesters
• Alternative Parents: Fatty alcohol esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Wax monoester skeleton - Fatty alcohol 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 wax monoesters. These are waxes bearing an ester group at exactly one position.
• External Descriptors: a wax ester

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

• 분자량: 565.000 g/mol
• XLogP3: 18.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 36
• Exact Mass: 564.585 Da
• Monoisotopic Mass: 564.585 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 460.000
• Isotope Atom Count: 0
• 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