Biotin-PEG2-iodide - ≥98% , CAS No.292843-75-5

CAS: 292843-75-5 Cat. No.: B596595 Molecular Weight: 542.4 PubChem CID: 11307260

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Biotin-PEG2-iodide is a heterobifunctional PEG derivative containing biotin and iodine moieties. Biotin is commonly used for protein conjugation and is commonly used with streptavidin and avidin. Iodine is a good leaving group for substitution reactions. The hydrophilic PEG spacer increases the water solubility of a compound in aqueous media.

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCNC(=O)CI)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-iodoacetyl)amino]ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: LWGLKVINXNMNJX-ZQIUZPCESA-N
• INCHI: 1S/C18H31IN4O5S/c19-11-16(25)21-6-8-28-10-9-27-7-5-20-15(24)4-2-1-3-14-17-13(12-29-14)22-18(26)23-17/h13-14,17H,1-12H2,(H,20,24)(H,21,25)(H2,22,23,26)/t13-,14-,17-/m0/s1
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCNC(=O)CI)NC(=O)N2
• PubChem CID: 11307260
• Molecular Weight: 542.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines N-acyl amines Imidazolidinones Thiophenes Thiolanes Organic carbonic acids and derivatives Sulfenyl compounds Dialkylthioethers Dialkyl ethers Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Alkyl iodides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty acyl - N-acyl-amine - Imidazolidinone - Fatty amide - Thiophene - Thiolane - Imidazolidine - Carbonic acid derivative - Carboxamide group - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Alkyl iodide - Alkyl halide - Aliphatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility in Water, DMSO, DMF
• Molecular Weight: 542.400 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 542.106 Da
• Monoisotopic Mass: 542.106 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 542.000
• 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