Sulfo DBCO-PEG3-acid

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Sulfo DBCO-PEG3-acid

Sulfo DBCO-PEG3-acid

Catelog Number R01-0409
Category Cycloalkyne Dyes (DBCO)
Molecular Formula C31H37N3O11S
Molecular Weight 659.7
Catalog Number Size Price Quantity
R01-0409 -- $--

Product Introduction

Sulfo DBCO-PEG3-acid is an analog of DBCO-Acid with PEG linker and a DBCO group. The DBCO groups is commonly used for copper-free Click Chemistry reactions due to its strain promoted high energy. The hydrophilic PEG chain and sulfo group increase water solubility. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.

Chemical Information

Purity 95%
IUPAC Name 3-[2-[2-[3-[[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxo-2-sulfopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoic acid
Canonical SMILES C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C(CNC(=O)CCOCCOCCOCCC(=O)O)S(=O)(=O)O
InChI InChI=1S/C31H37N3O11S/c35-28(12-15-43-17-19-45-20-18-44-16-13-30(37)38)33-21-27(46(40,41)42)31(39)32-14-11-29(36)34-22-25-7-2-1-5-23(25)9-10-24-6-3-4-8-26(24)34/h1-8,27H,11-22H2,(H,32,39)(H,33,35)(H,37,38)(H,40,41,42)
InChI Key NYZWWPUKQMXYHZ-UHFFFAOYSA-N

Product Specification

Storage -20 °C

Computed Properties

XLogP3 -0.6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 19
Exact Mass 659.21488018 g/mol
Monoisotopic Mass 659.21488018 g/mol
Topological Polar Surface Area 206Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1190
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes
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