Biotin-PEG7-azide - ≥98% , CAS No.1334172-75-6

CAS: 1334172-75-6 Cat. No.: B595262 분자식: C₂₆H₄₈N₆O₉S 분자량: 620.76 PubChem CID: 77078442

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Biotin-PEG7-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

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• 정식 스마일: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN=[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-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: WOMFFURCOFOFGG-LSQMVHIFSA-N
• INCHI: 1S/C26H48N6O9S/c27-32-29-6-8-36-10-12-38-14-16-40-18-20-41-19-17-39-15-13-37-11-9-35-7-5-28-24(33)4-2-1-3-23-25-22(21-42-23)30-26(34)31-25/h22-23,25H,1-21H2,(H,28,33)(H2,30,31,34)/t22-,23-,25-/m0/s1
• 이성체 SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
• PubChem CID: 77078442
• 분자량: 620.76

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 620.800 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 29
• Exact Mass: 620.32 Da
• Monoisotopic Mass: 620.32 Da
• Topological Polar Surface Area: 175.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 766.000
• 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