DOTA-(t-Butyl)3-PEG5-azide

Catalog Number	R14-0146
Category	Azides
Molecular Formula	C40H76N8O12
Molecular Weight	861.1

Catalog Number	Size	Price	Quantity
R14-0146	--	$--

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Product Introduction

DOTA-(t-Butyl)3-PEG5-azide contains DOTA-(t-butyl) and azide moieties. The DOTA-(t-Butyl) is Soluble in DMF and DCM. The t-Butyl groups can be removed under acidic conditions to produce free carboxylic acid. The azide group is commonly used in copper-catalyzed Click Chemistry reactions with alkynes, DBCO and BCN. The PEG chain increases the water solubility of compounds in aqueous media.

Chemical Information
Purity	95%
IUPAC Name	tert-butyl 2-[4-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Canonical SMILES	CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)NCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI	InChI=1S/C40H76N8O12/c1-38(2,3)58-35(50)31-46-14-12-45(30-34(49)42-10-20-53-22-24-55-26-28-57-29-27-56-25-23-54-21-11-43-44-41)13-15-47(32-36(51)59-39(4,5)6)17-19-48(18-16-46)33-37(52)60-40(7,8)9/h10-33H2,1-9H3,(H,42,49)
InChI Key	ZAFZQMAHXFLVMX-UHFFFAOYSA-N

Product Specification

Storage

-20 °C

Computed Properties
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	32
Exact Mass	860.55826989 g/mol
Monoisotopic Mass	860.55826989 g/mol
Topological Polar Surface Area	182Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Applications of Fluorescent Probes & Dyes

Laser Dye

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DOTA-(t-Butyl)3-PEG5-azide

Product Introduction

Chemical Information

Computed Properties