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DBCO-PEG12-TCO

CAT: 0804-HY-D1071-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D1071-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBCO-PEG12-TCO cantains a TCO and a DBCO moiety. TCO group can specifically react with terrahydrazine. DBCO-PEG12-TCO is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups. DBCO-PEG12-TCO also contains a TCO group that can undergo an inverse electron demand Diels-Alder reaction (iEDDA) with molecules containing Tetrazine groups.
CAS Number
2055022-06-3
UNSPSC
12171500
Hazard Statement
H302, H315, H319, H335
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dbco-peg12-tco.html
Purity
95.0
Solubility
10 mM in DMSO
Smiles
O=C(OC1CC/C=C/CCC1)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(NCCC(N2C3=CC=CC=C3C#CC4=CC=CC=C4C2)=O)=O
Molecular Formula
C54H81N3O16
Molecular Weight
1028.23
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Dbco-peg12-tco
CAS Number2055022-06-3
PubChem CID145708124
IUPAC Name[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC54H81N3O16
Molecular Weight1028.2
XLogP2.3
Topological Polar Surface Area199
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count44
Heavy Atom Count73
Formal Charge0
Complexity1500
SMILES
C1C/C=C\CCC(C1)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42
InChI
InChI=1S/C54H81N3O16/c58-52(55-20-18-53(59)57-46-49-12-7-6-10-47(49)16-17-48-11-8-9-15-51(48)57)19-22-61-24-26-63-28-30-65-32-34-67-36-38-69-40-42-71-44-45-72-43-41-70-39-37-68-35-33-66-31-29-64-27-25-62-23-21-56-54(60)73-50-13-4-2-1-3-5-14-50/h1-2,6-12,15,50H,3-5,13-14,18-46H2,(H,55,58)(H,56,60)/b2-1-
InChIKey
LREIKQBRBHTOTK-UPHRSURJSA-N
Chemical Structure
2D Structure
2D structure of Dbco-peg12-tco
CAS: 2055022-06-3
CID: 145708124
Formula: C54H81N3O16
MW: 1028.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1028.2
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count44
Exact Mass1027.56168350
Monoisotopic Mass1027.56168350
Topological Polar Surface Area199 Ų
Heavy Atom Count73
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-T302320-25MGTCO-PEG12-DBCO
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GTR19225681-01DBCO-PEG3-TCO
MBS5771200Methyltetrazine-PEG12-DBCO
MBS5770696Diketone-PEG12-DBCO
BUP05655M-PEG12-DBCO
GTR19225690-01DBCO-PEG12-acid
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