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Chemical structure of DBCO-PEG4-Biotin

GC61573

DBCO-PEG4-Biotin

Also known as 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide

DBCO-PEG4-Biotin is an azadibenzocyclooctyne-biotin derivative containing a biotin group and 4 PEGs· DBCO-PEG4-Biotin is a versatile biotinylation reagent used for the introduction of a biotin moiety to azide-labeled biomolecules via copper-free strain-promoted alkyne-azide click chemistry (SPAAC) reaction

ChemicalCAS1255942-07-4MW749.92FormulaC39H51N5O8S
CAS number
1255942-07-4
Molecular weight
749.92
Formula
C39H51N5O8S
InChIKey
LNHSQAOQVNHUGL-QRBHCBQLSA-N
Catalogue number
GC61573
Brand
GLPBIO
Computed properties PubChem CID 91757917 · XLogP 1.3 · TPSA 182 Ų · H-bond donors 4
XLogP
1.3
TPSA
182 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
23
Heavy atoms
53

SMILES C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC(=O)N2

Computed descriptors from PubChem (CID 91757917), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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