N-(Azido-PEG3)-N-Fluorescein-PEG3-acid

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N-(Azido-PEG3)-N-Fluorescein-PEG3-acid

N-(Azido-PEG3)-N-Fluorescein-PEG3-acid | 2100306-50-9

Catelog Number R14-0006
Category Azides
Molecular Formula C₃₈H₄₅N₅O₁₃S
Molecular Weight 811.85
Catalog Number Size Price Quantity
R14-0006 -- $--

Product Introduction

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

Chemical Information

Synonyms 1-azido-12-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)carbamothioyl)-3,6,9,15,18,21-hexaoxa-12-azatetracosan-24-oic acid; 3-[2-(2-{2-[12-azido-1-({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}carbamothioyl)-4,7,10-trioxa-1-azadodecan-1-yl]ethoxy}ethoxy)ethoxy]propanoic acid; 4,7,10-Trioxa-13-azatetradecanoic acid, 13-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3',6'-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-5-yl)amino]-14-thioxo-
Purity 98%
IUPAC Name 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]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(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCN=[N+]=[N-])C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI InChI=1S/C38H45N5O13S/c39-42-40-8-12-50-16-20-54-22-18-52-14-10-43(9-13-51-17-21-53-19-15-49-11-7-35(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 VGMWZPOXYYJXCA-UHFFFAOYSA-N

Product Specification

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

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 230Ų
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
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