N-(Azido-PEG2)-N-Fluorescein-PEG3-acid | 2086689-04-3

Name: N-(Azido-PEG2)-N-Fluorescein-PEG3-acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog Number	R14-0008
Category	Azides
Molecular Formula	C₃₆H₄₁N₅O₁₂S
Molecular Weight	767.80

Catalog Number	Size	Price	Quantity
R14-0008	--	$--

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Product Introduction

N-(Azido-PEG2)-N-Fluorescein-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. N-(Azido-PEG2)-N-Fluorescein-PEG3-acid can be used in the synthesis of a series of PROTACs.

Chemical Information
Product Specification

Synonyms	1-azido-9-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)carbamothioyl)-3,6,12,15,18-pentaoxa-9-azahenicosan-21-oic acid; 3-(2-{2-[2-({2-[2-(2-azidoethoxy)ethoxy]ethyl}({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)amino)ethoxy]ethoxy}ethoxy)propanoic acid
Purity	98%
IUPAC Name	3-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethyl-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES	C1=CC2=C(C=C1NC(=S)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI	InChI=1S/C36H41N5O12S/c37-40-38-8-12-48-16-17-49-13-9-41(10-14-50-18-20-51-19-15-47-11-7-33(44)45)35(54)39-24-1-4-28-27(21-24)34(46)53-36(28)29-5-2-25(42)22-31(29)52-32-23-26(43)3-6-30(32)36/h1-6,21-23,42-43H,7-20H2,(H,39,54)(H,44,45)
InChI Key	PMJYXCRDKLEIKK-UHFFFAOYSA-N

Storage

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

Computed Properties
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	22
Exact Mass	767.24724293 g/mol
Monoisotopic Mass	767.24724293 g/mol
Topological Polar Surface Area	221Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1240
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