BCN-exo-PEG8-NHS | 1608140-48-2

Name: BCN-exo-PEG8-NHS
Brand: BOC Sciences
Rating: 5 (1 reviews)

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Product Introduction

BCN-exo-PEG8-NHS is an ADC linker containing 8 PEG units.

Chemical Information
Synonyms	endo-BCN-PEG8-NHS ester
Purity	98%
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Canonical SMILES	C1CC2C(C2COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1
InChI	InChI=1S/C34H54N2O14/c37-31-7-8-32(38)36(31)50-33(39)9-11-41-13-15-43-17-19-45-21-23-47-25-26-48-24-22-46-20-18-44-16-14-42-12-10-35-34(40)49-27-30-28-5-3-1-2-4-6-29(28)30/h28-30H,3-27H2,(H,35,40)/t28-,29+,30?
InChI Key	GQCGVDZQAWQNHI-BWMKXQIXSA-N
Solubility	DMSO, DCM, DMF

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Computed Properties
XLogP3	0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	32
Exact Mass	714.35750440 g/mol
Monoisotopic Mass	714.35750440 g/mol
Topological Polar Surface Area	176Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	1030
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes