Tridecanedioic Acid - 10mM in DMSO , CAS No.505-52-2

CAS: 505-52-2 Cat. No.: T424350 분자식: C₁₃H₂₄O₄ 분자량: 244.33 Beilstein Registry Number: 2731 EC 번호: 208-011-4 PubChem CID: 10458

GRADE & PURITY 10mM in DMSO

Synonyms

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

AS-14882 | Brassilate | CHEBI:73718 | .ALPHA.,.OMEGA.-TRIDECANEDIOIC ACID | NCGC00258853-01 | Tox21_302982 | Undecane-1,11-dicarboxylic acid | Brassilic acid | HY-128421 | SCHEMBL20802 | tridecanedioate | Q2099072 | CAS-505-52-2 | TRIDECANEDIOIC ACID | MF

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528770209
• 정식 스마일: C(CCCCCC(=O)O)CCCCCC(=O)O
• IUPAC Name: tridecanedioic acid
• InChIKey: DXNCZXXFRKPEPY-UHFFFAOYSA-N
• INCHI: 1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
• 이성체 SMILES: C(CCCCCC(=O)O)CCCCCC(=O)O
• WGK 독일: 3
• PubChem CID: 10458
• 분자량: 244.33
• Beilstein: 2731
• Reaxy-Rn: 1786404

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: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Dicarboxylic 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: Dicarboxylic 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

• 녹는점(°C): 113 °C
• 분자량: 244.330 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• 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

참고 문헌

1. Yanzhi Xing, Jiaxin Li, Han Leng, Yanfeng Zhang, Shuang E, Jianhua Wang, Xuwei Chen.  (2024)  From cell membrane to endoplasmic reticulum: Tunable lipid membrane imaging by regulating the lipophilicity and internalization of carbon dots.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152068]

2. SunHongzheng , HanLongsen , GuoYueshuai , AnHuiqing , WangBing , ZhangXiangzheng , LiJiashuo , JiangYingtong , WangYue , SunGuangyi , ZhuShuai , TangShoubin , GeJuan , ChenMinjian , GuoXuejiang , WangQiang.  (2024)  The global phosphorylation landscape of mouse oocytes during meiotic maturation.  EMBO JOURNAL,      [PMID:39256562] [10.1038/s44318-024-00222-1]

3. Mengru Ding, Lingling Ni, Ying Zheng, Bao Wang, Chengtao Yu, Guorong Shan, Yongzhong Bao, Junfeng Liu, Pengju Pan.  (2025)  Hexagonal and Orthorhombic Crystal Formations in Ethylene Glycol-Based Long-Spaced Aliphatic Polyesters Driven by Layer Packing of Proximate Ester Groups.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.4c02956]