endo-BCN-PEG12-acid | 2183440-27-7

Catalog Number	R16-0014
Category	BCN
Molecular Formula	C38H67NO16
Molecular Weight	794.0

Catalog Number	Size	Price	Quantity
R16-0014	--	$--

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Product Introduction

endo-BCN-PEG12-acid is amonodisperse PEG reagent containing a BCN group and a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The BCN group enable click chemistry with azide -tagged molecules. The hydrophilic PEG spacer increases solubility in aqueous media.

Chemical Information
Synonyms	1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10,13,16,19,22,25,28,31,34,37,40-tridecaoxa-4-azatritetracontan-43-oic acid
Purity	98%
IUPAC Name	3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)CCC#C1
InChI	InChI=1S/C38H67NO16/c40-37(41)7-9-43-11-13-45-15-17-47-19-21-49-23-25-51-27-29-53-31-32-54-30-28-52-26-24-50-22-20-48-18-16-46-14-12-44-10-8-39-38(42)55-33-36-34-5-3-1-2-4-6-35(34)36/h34-36H,3-33H2,(H,39,42)(H,40,41)
InChI Key	VLDILOCSPCYAIX-UHFFFAOYSA-N
Solubility	DMSO, DCM, DMF

Product Specification

Storage

-20 °C

Computed Properties
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	42
Exact Mass	793.44598505 g/mol
Monoisotopic Mass	793.44598505 g/mol
Topological Polar Surface Area	186Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	961
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
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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endo-BCN-PEG12-acid | 2183440-27-7

Product Introduction

Chemical Information

Computed Properties