3-하이드록시 트리데카노산 - ≥98% , CAS No.32602-69-0

CAS: 32602-69-0 Cat. No.: H276461 분자식: C₁₃H₂₆O₃ 분자량: 230.34

GRADE & PURITY ≥98%

Synonyms

DTXSID10954328 | 3-하이드록시트리데카노익산 | PD060891 | 3-하이드록시트리데카노익산 | LMFA01050172 | SCHEMBL310749 | 트리데카노익산, 3-하이드록시- | F87894 | 13:0(3-OH) | MFCD00210305 | AKOS027380550 | CHEBI:177435

Storage

20°C, 건조 보관

Shipped In

아이스 박스 + 아이스 패드

개요

20°C에서 보관하십시오. 건조 조건에서 보관하세요. 최대 12개월까지 보관할 수 있습니다.

Specifications

동의어

DTXSID10954328 | 3-하이드록시트리데카노익산 | PD060891 | 3-하이드록시트리데카노익산 | LMFA01050172 | SCHEMBL310749 | 트리데카노익산, 3-하이드록시- | F87894 | 13:0(3-OH) | MFCD00210305 | AKOS027380550 | CHEBI:177435

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

3-Hydroxy fatty acid. LPS component. Use as standard, in analysis and biological systems.s

보관 조건

20°C, 건조 보관

배송

아이스 박스 + 아이스 패드

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.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488195319
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195319
• 정식 스마일: CCCCCCCCCCC(CC(=O)O)O
• IUPAC Name: 3-hydroxytridecanoic acid
• InChIKey: CWSNHZHHWHLJIM-UHFFFAOYSA-N
• INCHI: 1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
• 이성체 SMILES: CCCCCCCCCCC(CC(=O)O)O
• 분자량: 230.34
• Reaxy-Rn: 1776692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1776692&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: Methyl-branched fatty acids Hydroxy fatty acids Beta hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Methyl-branched fatty acid - Hydroxy fatty acid - Hydroxy acid - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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: Hydroxy 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

• 용해성: Soluble in ethanol
• 분자량: 230.340 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 11
• Exact Mass: 230.188 Da
• Monoisotopic Mass: 230.188 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 169.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1