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DBCO-PEG4-Biotin

CAT: 0013-GTR19203441-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203441-02Size:5 mg
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Description
DBCO-PEG4-Biotin is a biotinylation reagent for copper-free click chemistry (SPAAC) with azide-modified biomolecules. Its PEG spacer enhances solubility, making it suitable for in vitro labeling and in vivo imaging applications in proteomics and cellular tracking studies.
CAS Number
1255942-07-4
Product Name Alternative
DBCO-PEG4-Biotin, ADIBO-NH-PEG2-Biotin
Purity
95.00% (May vary between batches)
Solubility
DMSO:74.99 mg/mL (100 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (2.67 mM)
Smiles
C (CCCC (NCCOCCOCCOCCOCCC (NCCC (=O) N1C=2C (C#CC=3C (C1) =CC=CC3) =CC=CC2) =O) =O) [C@H]4[C@@]5 ([C@] (CS4) (NC (=O) N5) [H]) [H]
Molecular Formula
C39H51N5O8S
Molecular Weight
749.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DBCO-PEG4-Biotin
CAS Number1255942-07-4
PubChem CID91757917
IUPAC Name5-[(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
Molecular FormulaC39H51N5O8S
Molecular Weight749.9
XLogP1.3
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count53
Formal Charge0
Complexity1240
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
InChI
InChI=1S/C39H51N5O8S/c45-35(12-6-5-11-34-38-32(28-53-34)42-39(48)43-38)41-18-20-50-22-24-52-26-25-51-23-21-49-19-16-36(46)40-17-15-37(47)44-27-31-9-2-1-7-29(31)13-14-30-8-3-4-10-33(30)44/h1-4,7-10,32,34,38H,5-6,11-12,15-28H2,(H,40,46)(H,41,45)(H2,42,43,48)/t32-,34-,38-/m0/s1
InChIKey
LNHSQAOQVNHUGL-QRBHCBQLSA-N
Chemical Structure
2D Structure
2D structure of DBCO-PEG4-Biotin
CAS: 1255942-07-4
CID: 91757917
Formula: C39H51N5O8S
MW: 749.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight749.9
XLogP31.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass749.34583478
Monoisotopic Mass749.34583478
Topological Polar Surface Area182 Ų
Heavy Atom Count53
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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