N-(Azido-PEG2)-N-Fluorescein-PEG4-acid

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N-(Azido-PEG2)-N-Fluorescein-PEG4-acid

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

Catalog Number R14-0007
Category Azides
Molecular Formula C38H45N5O13S
Molecular Weight 811.9
Catalog Number Size Price Quantity
R14-0007 -- $--

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 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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