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Sulfo DBCO-PEG3-NHS ester
| Catalog Number | R01-0421 |
| Category | Cycloalkyne Dyes (DBCO) |
| Molecular Formula | C35H40N4O13S |
| Molecular Weight | 756.8 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Sulfo DBCO-PEG3-NHS ester is a water soluble, click chemistry reagent which can undergo copper free click chemistry
Chemical Information
Product Specification
Computed Properties
| Purity | 96% |
| IUPAC Name | 1-[[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-[3-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoylamino]-1-oxopropane-2-sulfonic acid |
| Canonical SMILES | C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCC(=O)NCC(C(=O)NCCC(=O)N2CC3=CC=CC=C3C#CC4=CC=CC=C42)S(=O)(=O)O |
| InChI | InChI=1S/C35H40N4O13S/c40-30(14-17-49-19-21-51-22-20-50-18-15-34(44)52-39-32(42)11-12-33(39)43)37-23-29(53(46,47)48)35(45)36-16-13-31(41)38-24-27-7-2-1-5-25(27)9-10-26-6-3-4-8-28(26)38/h1-8,29H,11-24H2,(H,36,45)(H,37,40)(H,46,47,48) |
| InChIKey | YHOFOMUTPQSRFY-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | -20 °C |
| XLogP3 | -1.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 21 |
| Exact Mass | 756.23125852 g/mol |
| Monoisotopic Mass | 756.23125852 g/mol |
| Topological Polar Surface Area | 233Ų |
| Heavy Atom Count | 53 |
| Formal Charge | 0 |
| Complexity | 1470 |
| 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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