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Biotin-PEG4-S-S-acid

CAT: 0804-HY-W190940Size: 1 EachDry Ice: NoHazardous: No
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Description
Biotin-PEG4-S-S-acid is a cleavable reagent which can efficiently introduce a biotin moiety to amine-containing biomolecules. The disulfide bond in this linker can be cleaved using reducing agents such as DTT, BME and TCEP to remove the biotin label.
CAS Number
1380166-80-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
OC(CCSSCCNC(CCOCCOCCOCCOCCNC(CCCC[C@H]1[C@]2([H])[C@](NC(N2)=O)([H])CS1)=O)=O)=O
Molecular Formula
C26H46N4O9S3
Molecular Weight
654.86
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

Biotin-PEG4-S-S-acid
CAS Number1380166-80-2
PubChem CID139593584
IUPAC Name3-[2-[3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyldisulfanyl]propanoic acid
Molecular FormulaC26H46N4O9S3
Molecular Weight654.9
XLogP-1.1
Topological Polar Surface Area249
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Heavy Atom Count42
Formal Charge0
Complexity800
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCSSCCC(=O)O)NC(=O)N2
InChI
InChI=1S/C26H46N4O9S3/c31-22(4-2-1-3-21-25-20(19-40-21)29-26(35)30-25)27-7-10-37-12-14-39-16-15-38-13-11-36-9-5-23(32)28-8-18-42-41-17-6-24(33)34/h20-21,25H,1-19H2,(H,27,31)(H,28,32)(H,33,34)(H2,29,30,35)/t20-,21-,25-/m0/s1
InChIKey
JHFNDTQMSDEJOG-WATLYSKOSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-S-S-acid
CAS: 1380166-80-2
CID: 139593584
Formula: C26H46N4O9S3
MW: 654.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.9
XLogP3-1.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count27
Exact Mass654.24269258
Monoisotopic Mass654.24269258
Topological Polar Surface Area249 Ų
Heavy Atom Count42
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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