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M-PEG2-DBCO

CAT: 0804-HY-W800725Size: 1 EachDry Ice: NoHazardous: No
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Description
M-PEG2-DBCO is a monodisperse PEG reagents which can enable copper-free Click Chemistry through the reaction of DBCO with azide.
CAS Number
2698341-01-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCC(N1C2=C(C#CC3=C(C1)C=CC=C3)C=CC=C2)=O)NCCOCCOC
Molecular Formula
C24H26N2O4
Molecular Weight
406.47
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

m-PEG2-DBCO
CAS Number2698341-01-2
PubChem CID155061382
IUPAC Name4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-(2-methoxyethoxy)ethyl]-4-oxobutanamide
Molecular FormulaC24H26N2O4
Molecular Weight406.5
XLogP1.8
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity638
SMILES
COCCOCCNC(=O)CCC(=O)N1CC2=CC=CC=C2C#CC3=CC=CC=C31
InChI
InChI=1S/C24H26N2O4/c1-29-16-17-30-15-14-25-23(27)12-13-24(28)26-18-21-8-3-2-6-19(21)10-11-20-7-4-5-9-22(20)26/h2-9H,12-18H2,1H3,(H,25,27)
InChIKey
MSDBUVAFXGJQTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG2-DBCO
CAS: 2698341-01-2
CID: 155061382
Formula: C24H26N2O4
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass406.18925731
Monoisotopic Mass406.18925731
Topological Polar Surface Area67.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes