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Desthiobiotin-PEG3-NHS ester

CAT: 0804-HY-W190908-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W190908-01Size:25 mg
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Description
Desthiobiotin-PEG3-NHS ester is a single-ring, sulfur-free analog of biotin that binds to streptavidin with nearly equal specificity but less affinity than biotin (Kd = 1011 vs. 1015 M, respectively) . Consequently, desthiobiotinylated proteins can be eluted readily and specifically from streptavidin affinity resin using mild conditions based on competitive displacement with free biotin.
CAS Number
2411681-92-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(N[C@H]1C)N[C@@H]1CCCCCC(NCCOCCOCCOCCC(ON2C(CCC2=O)=O)=O)=O
Molecular Formula
C23H38N4O9
Molecular Weight
514.57
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

Desthiobiotin-PEG3-NHS ester
CAS Number2411681-92-8
PubChem CID145994565
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC23H38N4O9
Molecular Weight514.6
XLogP-1
Topological Polar Surface Area162
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Heavy Atom Count36
Formal Charge0
Complexity733
SMILES
C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)NCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C23H38N4O9/c1-17-18(26-23(32)25-17)5-3-2-4-6-19(28)24-10-12-34-14-16-35-15-13-33-11-9-22(31)36-27-20(29)7-8-21(27)30/h17-18H,2-16H2,1H3,(H,24,28)(H2,25,26,32)/t17-,18+/m0/s1
InChIKey
JWHMGEZINQQWSX-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of Desthiobiotin-PEG3-NHS ester
CAS: 2411681-92-8
CID: 145994565
Formula: C23H38N4O9
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count20
Exact Mass514.26387880
Monoisotopic Mass514.26387880
Topological Polar Surface Area162 Ų
Heavy Atom Count36
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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