N-(DBCO-PEG4)-N-Biotin-PEG4-acid

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N-(DBCO-PEG4)-N-Biotin-PEG4-acid

N-(DBCO-PEG4)-N-Biotin-PEG4-acid

Catalog Number R01-0325
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C50H71N5O14S
Molecular Weight 998.2
Catalog Number Size Price Quantity
R01-0325 -- $--

Product Introduction

N-(DBCO-PEG4)-N-Biotin-PEG4-acid is a biotinylation reagent which enable click chemistry with azide.

Chemical Information

Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoyl-[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1C2C(C(S1)CCCCC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2
InChI InChI=1S/C50H71N5O14S/c56-45(15-16-47(58)55-37-41-9-2-1-7-39(41)13-14-40-8-3-4-10-43(40)55)51-18-22-63-26-30-67-34-36-69-32-28-65-24-20-54(19-23-64-27-31-68-35-33-66-29-25-62-21-17-48(59)60)46(57)12-6-5-11-44-49-42(38-70-44)52-50(61)53-49/h1-4,7-10,42,44,49H,5-6,11-12,15-38H2,(H,51,56)(H,59,60)(H2,52,53,61)/t42-,44-,49-/m0/s1
InChI Key UTSGOLXAYDVUIL-QXMSZIEOSA-N
  • Product Specification
Storage -20 °C

Computed Properties

XLogP3 0.4
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 15
Rotatable Bond Count 38
Exact Mass 997.47182313 g/mol
Monoisotopic Mass 997.47182313 g/mol
Topological Polar Surface Area 247Ų
Heavy Atom Count 70
Formal Charge 0
Complexity 1620
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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