N-(Azido-PEG2)-N-Fluorescein-PEG4-acid | 2086689-06-5

Catelog Number	R14-0007
Category	Azides
Molecular Formula	C38H45N5O13S
Molecular Weight	811.9

Catalog Number	Size	Price	Quantity
R14-0007	--	$--

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Product Introduction

N-(Azido-PEG2)-N-Fluorescein-PEG4-acid is a fluorescein lableing reagent containing a terminal azide group and a terminal carboxylic acid. The azide group enables PEGylation via Click Chemistry. The terminal carboxylic acid can react with primary amino groups in the presence of EDC or HATU

Chemical Information
Synonyms	1-azido-9-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)carbamothioyl)-3,6,12,15,18,21-hexaoxa-9-azatetracosan-24-oic acid; 4,7,10,13-Tetraoxa-16-azaheptadecanoic acid, 16-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-17-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-17-thioxo-
Purity	98%
IUPAC Name	3-[2-[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]ethoxy]propanoic acid
Canonical SMILES	C1=CC2=C(C=C1NC(=S)N(CCOCCOCCN=[N+]=[N-])CCOCCOCCOCCOCCC(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI	InChI=1S/C38H45N5O13S/c39-42-40-8-12-50-16-17-51-13-9-43(10-14-52-18-20-54-22-21-53-19-15-49-11-7-35(46)47)37(57)41-26-1-4-30-29(23-26)36(48)56-38(30)31-5-2-27(44)24-33(31)55-34-25-28(45)3-6-32(34)38/h1-6,23-25,44-45H,7-22H2,(H,41,57)(H,46,47)
InChI Key	NJEUQTQEGQWTHD-UHFFFAOYSA-N

Product Specification
Storage	-20 °C

Computed Properties
XLogP3	2.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	25
Exact Mass	811.27345768 g/mol
Monoisotopic Mass	811.27345768 g/mol
Topological Polar Surface Area	230Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	1290
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