Biotin-PEG4-alkyne - ≥95% , CAS No.1458576-00-5

CAS: 1458576-00-5 Cat. No.: B595907 Molecular Weight: 457.6 PubChem CID: 75409985

GRADE & PURITY ≥95%

Synonyms

AKOS030213694 | 1262681-31-1 | BS-33861 | SCHEMBL19983140 | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide | Acetylene-PEG4-biotin conjugate | (3aS,4S,6aR)-Hexahydr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Biotin-PEG4-alkyne is PEG derivative containing a biotin group and an alkyne group. The alkyne group can react with azide moiety in Cu(I)-catalyzed 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

Synonyms

AKOS030213694 | 1262681-31-1 | BS-33861 | SCHEMBL19983140 | 5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]-N-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide | Acetylene-PEG4-biotin conjugate | (3aS, 4S, 6aR)-Hexahydr

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: C#CCOCCOCCOCCOCCNC(=O)CCCCC1C2C(CS1)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-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: SKMJWNZZFUDLKQ-BJLQDIEVSA-N
• INCHI: 1S/C21H35N3O6S/c1-2-8-27-10-12-29-14-15-30-13-11-28-9-7-22-19(25)6-4-3-5-18-20-17(16-31-18)23-21(26)24-20/h1,17-18,20H,3-16H2,(H,22,25)(H2,23,24,26)/t17-,18-,20-/m0/s1
• Isomeric SMILES: C#CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
• Alternate CAS: 1262681-31-1
• PubChem CID: 75409985
• Molecular Weight: 457.6

Chemical and Physical Properties

• Solubility: Solubility in Water, DMSO, DCM, DMF
• Molecular Weight: 457.600 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 457.225 Da
• Monoisotopic Mass: 457.225 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 585.000
• 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