Biotin-PEG6-azide - ≥98% , CAS No.1085938-09-5

CAS: 1085938-09-5 Cat. No.: B596926 分子式: C₂₄H₄₄N₆O₈S 分子量: 576.7 PubChem CID: 102313005

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Biotin-PEG6-azide is PEG derivative containing a biotin group and an azide group. The azide group can react with either alkyne moiety in Cu(I)-catalyzed Click Chemistry reaction or DBCO moiety in copper-free Click Chemistry reaction to form a stable triazole linkage. The hydrophilic PEG spacer increases solubility in aqueous media of the molecules conjugated to the biotin compound. It also helps to minimize steric hindrance involved with the binding to avidin molecules.

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• カノニカル・スマイル: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
• IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: WTVVCWJIXLJVCQ-FUDKSRODSA-N
• INCHI: 1S/C24H44N6O8S/c25-30-27-6-8-34-10-12-36-14-16-38-18-17-37-15-13-35-11-9-33-7-5-26-22(31)4-2-1-3-21-23-20(19-39-21)28-24(32)29-23/h20-21,23H,1-19H2,(H,26,31)(H2,28,29,32)/t20-,21-,23-/m0/s1
• 異性体SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
• PubChem CID: 102313005
• 分子量: 576.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines Imidazolidinones N-acyl amines Thiophenes Thiolanes Azo compounds Azo imides Ureas Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Azo compound - Azo imide - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• 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

化学的性質と物理的性質

• 溶解度: Solubility in DCM
• 分子量: 576.700 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 26
• Exact Mass: 576.294 Da
• Monoisotopic Mass: 576.294 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 718.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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